CN(C)C(=O)Oc1nnc(SCC(=O)c2ccc3c(c2)OCCO3)n1C1Cc2ccccc2C1 ZINC000001034092 JG Annotated Anodyne CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)NN ZINC000001231962 JG Annotated Reactive CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)NN ZINC000001231963 JG Annotated Reactive COc1cc(OC)cc(-c2cc3nc4c(c(N5CCN(c6ncccn6)CC5)n3n2)CCCC4)c1 ZINC000001341777 JG Annotated Anodyne Fc1ccc(Cn2nnnc2CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 ZINC000001380640 JG Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3N=N[C@@H]4CCCCC[C@]43N3CCOCC3)cc21 ZINC000001441328 JG Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3N=N[C@H]4CCCCC[C@]43N3CCOCC3)cc21 ZINC000001441329 JG Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3N=N[C@@H]4CCCCC[C@@]43N3CCOCC3)cc21 ZINC000001441330 JG Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3N=N[C@H]4CCCCC[C@@]43N3CCOCC3)cc21 ZINC000001441331 JG Annotated Anodyne COc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)C(=O)C=CC(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc1OC ZINC000001484948 JG Annotated Mild in-vitro O=C(O)C[C@@H](c1ccc2c(c1)OCC2)N1CCN(CCCc2ccc3c(n2)NCCC3)C1=O ZINC000001490253 JG Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2cnccc2[nH]1 ZINC000001490746 JG Annotated Anodyne Cn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CCN(c5ccc(F)cc5)CC4)cc3nc21 ZINC000001493523 JG Annotated Bother N[P@@](=O)(OCC1=CC(=O)c2ccccc2C1=O)N(CCBr)CCBr ZINC000001493777 JG Annotated Reactive COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](O)[C@H]2[C@](C)(C(=O)O)C=CC(=O)[C@]12C ZINC000100056906 JG Annotated Mild C/C=C(\C)[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@@H]1/C(O)=C1/C(=O)N[C@H](C[C@@](C)(O)C(=O)OC)C1=O ZINC000100070549 JG Annotated Mild in-vitro N#C[C@@]1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)[C@H]2CSC[C@H]21 ZINC000100082934 JG Annotated Mild N#C[C@@]1(c2ccc(-c3c(F)cc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)[C@H]2CSC[C@H]21 ZINC000100082945 JG Annotated Mild CC(=O)O[C@@H]1C(=O)c2c(c(CC=C(C)C)c3cc(O)cc(O)c3c2O)C[C@@]1(O)CC(=O)/C=C(/C)O ZINC000100093580 JG Annotated Mild in-vitro COc1cccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3OC)cc2)c1 ZINC000100093884 JG Annotated Anodyne COc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccccc3OC)cc2)cc1 ZINC000100094477 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCc3ccccc3)[C@H]2N1Cc1ccccc1OC ZINC000100094649 JG Annotated Anodyne COc1cccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)c1 ZINC000100096090 JG Annotated Anodyne CCc1cccc(-c2[nH]c(CNc3ccc(C(N)=O)cc3)nc2C2=C[C@H]3NC=CN[C@@H]3C=C2)n1 ZINC000100096362 JG Annotated Anodyne CCc1cccc(-c2[nH]c(CNc3ccc(C(N)=O)cc3)nc2C2=C[C@@H]3NC=CN[C@@H]3C=C2)n1 ZINC000100096366 JG Annotated Anodyne CCc1cccc(-c2[nH]c(CNc3ccc(C(N)=O)cc3)nc2C2=C[C@H]3NC=CN[C@H]3C=C2)n1 ZINC000100096371 JG Annotated Anodyne CCc1cccc(-c2[nH]c(CNc3ccc(C(N)=O)cc3)nc2C2=C[C@@H]3NC=CN[C@H]3C=C2)n1 ZINC000100096373 JG Annotated Anodyne Cc1cc(-c2nnn(C[C@@H]3CC[C@@H](C(=O)O)CC3)n2)cc(C(=O)NCc2ccc(F)c(F)c2)n1 ZINC000100098010 JG Annotated Anodyne Cc1cc(-c2nnn(C[C@@H]3CC[C@@H](C(=O)O)CC3)n2)cc(C(=O)NCc2ccc(F)c(C)c2)n1 ZINC000100098056 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5ccccc5F)C[C@@H]3N4)cc2)c1 ZINC000100101375 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccccc5F)C[C@@H]3N4)cc2)c1 ZINC000100101377 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3F)cc2)cc1 ZINC000100101386 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000100101419 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000100101421 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccc(C(=O)N(C)C)c2)cc1 ZINC000100101425 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccc(C(=O)N(C)C)c2)cc1 ZINC000100101426 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)Cc5ccccc5)C[C@@H]3N4)cc2)c1 ZINC000100101561 JG Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccccc4OC)C[C@@H]2N3)cc1 ZINC000100101661 JG Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccccc4OC)C[C@@H]2N3)cc1 ZINC000100101663 JG Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccccc2OC)cc1 ZINC000100101666 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5ccc(F)cc5)C[C@@H]3N4)cc2)cc1 ZINC000100101737 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccc(F)cc5)C[C@@H]3N4)cc2)cc1 ZINC000100101762 JG Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000100102485 JG Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000100102494 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000100103383 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)cc1 ZINC000100103474 JG Annotated Anodyne CO/N=C1/C2=C(CCN(c3cc4c(cc3N)c(=O)c(C(=O)O)cn4C3CC3)C2)SC[C@H]1C ZINC000100104592 JG Annotated Mild CO/N=C1/C2=C(CCN(c3cc4c(cc3N)c(=O)c(C(=O)O)cn4C3CC3)C2)SC[C@@H]1C ZINC000100104596 JG Annotated Mild COc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3cccc(OC)c3)cc2)cc1 ZINC000100105948 JG Annotated Anodyne COc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3cccc(OC)c3)cc2)cc1 ZINC000100105952 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000100106273 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000100106352 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5ccc(F)cc5)C[C@@H]3N4)cc2)c1 ZINC000100106480 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccc(F)cc5)C[C@@H]3N4)cc2)c1 ZINC000100106566 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]3N4)cc2)cc1 ZINC000100106812 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]3N4)cc2)cc1 ZINC000100106816 JG Annotated Anodyne COc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccccc3OC)cc2)c1 ZINC000100106901 JG Annotated Anodyne COc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccccc3OC)cc2)c1 ZINC000100106904 JG Annotated Anodyne COc1cccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccccc3OC)cc2)c1 ZINC000100107041 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccccc3)[C@@H]2N1Cc1ccccc1OC ZINC000100107419 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3F)cc2)c1 ZINC000100107511 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3F)cc2)c1 ZINC000100107513 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccc(C(=O)N(C)C)c2)cc1 ZINC000100108568 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccccc5F)C[C@@H]3N4)cc2)cc1 ZINC000100108749 JG Annotated Anodyne COc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)c1 ZINC000100109013 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)cc1 ZINC000100109031 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)Cc3ccccc3)cc2)c1 ZINC000100109295 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)Cc5ccccc5)C[C@@H]3N4)cc2)cc1 ZINC000100109321 JG Annotated Anodyne COc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3OC)cc2)cc1 ZINC000100109483 JG Annotated Anodyne C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C/[C@@H]3[C@@H]1O ZINC000100157036 JG Annotated Mild CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1cccnc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000100193186 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1cccnc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000100206850 JG Annotated Anodyne CC1=C(C)[C@H](O)[C@@H]2/C=C/C[C@@H](C)C[C@](C)(O)/C=C\[C@H](O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]13 ZINC000100257251 JG Annotated Anodyne in-man biogenic CC1=C(C)[C@H](O)[C@@H]2/C=C/C[C@H](C)C[C@](C)(O)/C=C\[C@H](O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]13 ZINC000100257257 JG Annotated Anodyne in-man biogenic Cc1nc(-c2ccccc2)sc1C(=O)[C@H]1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 ZINC000100269937 JG Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)[C@@H]1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 ZINC000100269941 JG Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)[C@H]1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1 ZINC000100269945 JG Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)[C@@H]1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1 ZINC000100269949 JG Annotated Anodyne Cc1c(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)cnn1-c1ccccc1 ZINC000100270686 JG Annotated Anodyne Cc1c(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)cnn1-c1ccccc1 ZINC000100270690 JG Annotated Anodyne Cc1c(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccn2)cnn1-c1ccccc1 ZINC000100270695 JG Annotated Anodyne Cc1c(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccn2)cnn1-c1ccccc1 ZINC000100270699 JG Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)[C@H]1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccco1 ZINC000100276508 JG Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)[C@@H]1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccco1 ZINC000100276513 JG Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)[C@H]1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccco1 ZINC000100276516 JG Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)[C@@H]1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccco1 ZINC000100276518 JG Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(Cl)c3)oc12 ZINC000100283098 JG Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccc(Cl)c3)oc12 ZINC000100283105 JG Annotated Anodyne COC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccco2)nc1C ZINC000100283138 JG Annotated Anodyne COC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccco2)nc1C ZINC000100283141 JG Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C(C)C)C(=O)[C@H]24)cc1 ZINC000100290525 JG Annotated Anodyne CCOc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C(C)C)C(=O)[C@H]24)cc1 ZINC000100290529 JG Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)c3ccc(F)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000100308814 JG Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)c3ccc(F)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000100308820 JG Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(F)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000100308824 JG Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)c3ccc(F)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000100308828 JG Annotated Anodyne COc1cccc(C(=O)/C=C/Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)c1 ZINC000100367922 JG Annotated Mild CC(C)c1cnn2c(Nc3ccc(S(=O)(=O)N(C)C)cc3)cc(O[C@@H]3CC[C@@H](N)CC3)nc12 ZINC000100382145 JG Annotated Anodyne C[C@@H]1C/C=C/[C@@H]2[C@H]3O[C@@]3(C)[C@H](C)[C@H]3[C@@H](Cc4ccccc4)NC(=O)[C@@]32OC(=O)O/C=C/[C@@](C)(O)C1=O ZINC000100383994 JG Annotated Anodyne C[C@H]1C/C=C/[C@@H]2[C@H]3O[C@@]3(C)[C@H](C)[C@H]3[C@@H](Cc4ccccc4)NC(=O)[C@@]32OC(=O)O/C=C/[C@@](C)(O)C1=O ZINC000100383996 JG Annotated Anodyne C[C@H]1C/C=C/[C@H]2[C@H]3O[C@@]3(C)[C@H](C)[C@H]3[C@@H](Cc4ccccc4)NC(=O)[C@@]32OC(=O)O/C=C/[C@@](C)(O)C1=O ZINC000100384004 JG Annotated Anodyne COc1cc(C(=O)C(=O)N2[C@@H]3CCC[C@@H]2[C@H]2c4cc(C)ccc4CCN2C3=O)cc(OC)c1OC ZINC000100405761 JG Annotated Anodyne COc1cc(C(=O)C(=O)N2[C@@H]3CCC[C@@H]2[C@@H]2c4cc(C)ccc4CCN2C3=O)cc(OC)c1OC ZINC000100405765 JG Annotated Anodyne COc1ccc([C@@H]2C3=C(NN/C3=C3\C=C(Cl)C(C)=CC3=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000100433597 JG Annotated Mild COc1ccc([C@H]2C3=C(NN/C3=C3\C=C(Cl)C(C)=CC3=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000100433600 JG Annotated Mild CN1C(SCC(=O)N2c3ccccc3CCc3ccccc32)=NN/C1=C1/C=c2ccccc2=CC1=O ZINC000100434227 JG Annotated Mild CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000100448048 JG Annotated Anodyne O=C(C1CCCCC1)N1CCC(c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)CC1 ZINC000100448763 JG Annotated Anodyne Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSC1=NN/C(=C2/C=C(Cl)C=CC2=O)N1C ZINC000100454180 JG Annotated Mild O=C1C(=O)N(CN2CCOCC2)[C@@H](c2ccc(Br)cc2)/C1=C(\O)c1ccccc1 ZINC000100455452 JG Annotated Mild O=C1C(=O)N(CN2CCOCC2)[C@H](c2ccc(Br)cc2)/C1=C(\O)c1ccccc1 ZINC000100455456 JG Annotated Mild C=CCN1C(SCC(=O)Nc2ccc3c(c2)OCO3)=NN/C1=C1/C=C(Br)C=CC1=O ZINC000100465072 JG Annotated Mild CC(C)(C)CC(=O)N1CCC(c2nc3n(Cc4c(F)cccc4Cl)[nH]nc-3c(=O)n2)CC1 ZINC000100489524 JG Annotated Anodyne Cc1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(S(=O)(=O)c5cc(C)ccc5C)CC4)nc2-3)cc1 ZINC000100489872 JG Annotated Anodyne C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)NN/C=C1\C=C(Cl)C=CC1=O ZINC000100490850 JG Annotated Reactive CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(NN/C=C3\C=Nc4ccccc43)=NC2=O)cc1 ZINC000100491878 JG Annotated Anodyne CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(NN/C=C3\C=Nc4ccccc43)=NC2=O)cc1 ZINC000100491884 JG Annotated Anodyne O=C(c1cccs1)N1CCC(c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)CC1 ZINC000100493943 JG Annotated Anodyne CC1=C2[C@@H](C[C@H]1c1ccoc1)O[C@@H]1[C@@H]3OC[C@]4(C)[C@H](O)C[C@H](O)[C@](C)([C@@H](CC(=O)O)[C@]21C)[C@@H]34 ZINC000100501932 JG Annotated Anodyne COc1nccnc1NS(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000100507250 JG Annotated Clean Cc1ccc(NC(=O)CSCc2nc3n(Cc4ccc(F)cc4)[nH]nc-3c(=O)n2)c(C)c1 ZINC000100507809 JG Annotated Anodyne COc1ccc(CCN2C(=O)C3=C(/C(=C4\C=CC=CC4=O)NN3)[C@H]2c2ccc(C)cc2)cc1OC ZINC000100511901 JG Annotated Mild COc1ccc(CCN2C(=O)C3=C(/C(=C4\C=CC=CC4=O)NN3)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000100511904 JG Annotated Mild Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](CNC(=S)Nc5ccc(Cl)cc5)(O4)[C@@H]3C2=O)cc1 ZINC000100514783 JG Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](CNC(=S)Nc5ccc(Cl)cc5)(O4)[C@@H]3C2=O)cc1 ZINC000100514790 JG Annotated Anodyne CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000100516766 JG Annotated Mild CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000100516772 JG Annotated Mild O=C(NC[C@@H]1CCCO1)C1=CC2=N[C@H](c3ccc(Br)cc3)C[C@H](C(F)(F)F)N2N1 ZINC000100526040 JG Annotated Anodyne O=C(NC[C@@H]1CCCO1)C1=CC2=N[C@@H](c3ccc(Br)cc3)C[C@H](C(F)(F)F)N2N1 ZINC000100526047 JG Annotated Anodyne O=C(NC[C@@H]1CCCO1)C1=CC2=N[C@H](c3ccc(Br)cc3)C[C@@H](C(F)(F)F)N2N1 ZINC000100526051 JG Annotated Anodyne O=C(NC[C@@H]1CCCO1)C1=CC2=N[C@@H](c3ccc(Br)cc3)C[C@@H](C(F)(F)F)N2N1 ZINC000100526056 JG Annotated Anodyne CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1)C(=O)N1CCOCC1 ZINC000100549708 JG Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1)C(=O)N1CCOCC1 ZINC000100549709 JG Annotated Anodyne C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000100553676 JG Annotated Mild C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000100553678 JG Annotated Mild COc1ccc(CCN2C(=O)C3=C(/C(=C4\C=CC=CC4=O)NN3)[C@H]2c2ccccc2)cc1OC ZINC000100573249 JG Annotated Mild COc1ccc(CCN2C(=O)C3=C(/C(=C4\C=CC=CC4=O)NN3)[C@@H]2c2ccccc2)cc1OC ZINC000100573252 JG Annotated Mild O=C(CSc1nc2nncc-2c(O)n1-c1ccccc1Br)NCc1ccco1 ZINC000100615543 JG Annotated Anodyne aggregator CNc1nc2c(F)cccc2n1-c1nc(N2CCOC[C@H]2C)cc(C(C)(C)[S@@](C)(=N)=O)n1 ZINC000100630895 JG Annotated Anodyne CNc1nc2ccc(F)cc2n1-c1nc(N2CCOC[C@H]2C)cc(C(C)(C)[S@](C)(=N)=O)n1 ZINC000100630902 JG Annotated Anodyne CNc1nc2cc(F)ccc2n1-c1nc(N2CCOC[C@H]2C)cc(C(C)(C)[S@@](C)(=N)=O)n1 ZINC000100630942 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C[C@H]1COCCO1 ZINC000100636780 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C[C@@H]1COCCO1 ZINC000100636783 JG Annotated Anodyne CN(C)C(=O)CCC(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100636917 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)[C@@H](O)C(F)(F)F ZINC000100636992 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)[C@H](O)C(F)(F)F ZINC000100636993 JG Annotated Anodyne O=S(=O)(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)N1CCOCC1 ZINC000100638969 JG Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000100644532 JG Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000100644533 JG Annotated Anodyne COc1ccc(-n2c(SCC(=O)N3CCOCC3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705512 JG Annotated Anodyne COc1cccc(-n2c(SCC(=O)N3CCOCC3)nc3c4ccccc4nc-3c2O)c1 ZINC000100705691 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2[C@@H]3C[C@](c4ccc(F)cc4)(CO3)[C@H]2CCCCOCC(=O)O)cc1 ZINC000100757267 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2[C@H]3C[C@@](c4ccc(F)cc4)(CO3)[C@H]2CCCCOCC(=O)O)cc1 ZINC000100757274 JG Annotated Anodyne O=C(O)COC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H]2C[C@]1(c1ccc(F)cc1)CO2 ZINC000100757548 JG Annotated Anodyne O=C(O)COC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@H]2C[C@@]1(c1ccc(F)cc1)CO2 ZINC000100757552 JG Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@@H](O)[C@@]34O[C@](OC)(CC[C@@]3(C)[C@@H]1C2)OC4(C)C ZINC000100772609 JG Annotated Anodyne in-man endogenous COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@@H](O)[C@@]34O[C@](OC)(CC[C@@]3(C)[C@H]1C2)OC4(C)C ZINC000100772611 JG Annotated Anodyne in-man endogenous COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](O)[C@@]34O[C@](OC)(CC[C@@]3(C)[C@@H]1C2)OC4(C)C ZINC000100772613 JG Annotated Anodyne in-man endogenous COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](O)[C@@]34O[C@](OC)(CC[C@@]3(C)[C@H]1C2)OC4(C)C ZINC000100772614 JG Annotated Anodyne in-man endogenous COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(O)[C@@H]3O ZINC000100772962 JG Annotated Anodyne in-man endogenous COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@@H](C=C(C)C)N1C(=O)[C@H]2CCCN2C(=O)[C@@]1(O)[C@@H]3O ZINC000100772965 JG Annotated Anodyne in-man endogenous COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@H]2CCCN2C(=O)[C@@]1(O)[C@@H]3O ZINC000100772966 JG Annotated Anodyne in-man endogenous C=C(C(C)C)[C@@H](O)[C@@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000100777372 JG Annotated Mild in-man endogenous C=C(C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000100777375 JG Annotated Mild in-man endogenous C=C(C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000100777377 JG Annotated Mild in-man endogenous C=C(C(C)C)[C@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000100777379 JG Annotated Mild in-man endogenous C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@@H](OC(=O)/C=C/[S@@](C)=O)[C@@H](C)[C@]21C ZINC000100784233 JG Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@@H](OC(=O)/C=C/[S@@](C)=O)[C@@H](C)[C@]21C ZINC000100784235 JG Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CC[C@@H](OC(=O)/C=C/[S@@](C)=O)[C@@H](C)[C@]21C ZINC000100784238 JG Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CC[C@@H](OC(=O)/C=C/[S@@](C)=O)[C@@H](C)[C@]21C ZINC000100784240 JG Annotated Anodyne in-man endogenous CCN(CC)CCNc1ccc(CNS(C)(=O)=O)c2sc3ccc(OC)cc3c(=O)c12 ZINC000100808782 JG Annotated Bother COC(=O)c1cc2c([nH]1)C(=O)C=C1[C@@H]2[C@H](C)CN1C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 ZINC000100820073 JG Annotated Mild COC(=O)c1cc2c([nH]1)C(=O)C=C1[C@@H]2[C@@H](C)CN1C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 ZINC000100820075 JG Annotated Mild COC(=O)c1cc2c([nH]1)C(=O)C=C1[C@H]2[C@H](C)CN1C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 ZINC000100820076 JG Annotated Mild COC(=O)c1cc2c([nH]1)C(=O)C=C1[C@H]2[C@@H](C)CN1C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 ZINC000100820077 JG Annotated Mild CC(C)(O)[C@@H]1O[C@@]2(O)CC[C@]3(C)[C@@](O)(CC[C@@H]4Cc5c([nH]c6ccccc56)[C@]43C)C2=CC1=O ZINC000100829570 JG Annotated Mild in-man CC(C)(O)[C@H]1O[C@@]2(O)CC[C@]3(C)[C@@](O)(CC[C@@H]4Cc5c([nH]c6ccccc56)[C@]43C)C2=CC1=O ZINC000100829572 JG Annotated Mild in-man CC(C)(O)[C@@H]1O[C@]2(O)CC[C@]3(C)[C@@](O)(CC[C@@H]4Cc5c([nH]c6ccccc56)[C@]43C)C2=CC1=O ZINC000100829573 JG Annotated Mild in-man CC(C)(O)[C@H]1O[C@]2(O)CC[C@]3(C)[C@@](O)(CC[C@@H]4Cc5c([nH]c6ccccc56)[C@]43C)C2=CC1=O ZINC000100829575 JG Annotated Mild in-man CC(C)[C@@H](C)[C@@H](O)[C@@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000100829771 JG Annotated Anodyne in-man CC(C)[C@H](C)[C@@H](O)[C@@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000100829773 JG Annotated Anodyne in-man CC(C)[C@@H](C)[C@H](O)[C@@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000100829774 JG Annotated Anodyne in-man CC(C)[C@H](C)[C@H](O)[C@@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000100829776 JG Annotated Anodyne in-man COC(=O)c1ccccc1S(=O)(=O)OCC[C@@H]1CCC[C@@H]2CC[C@]3(C)OO[C@@]12[C@@H](OC)O3 ZINC000100836119 JG Annotated Reactive Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OS(=O)(=O)C[C@@]12CC[C@H](CC1=O)C2(C)C)[C@@H]3O ZINC000100840670 JG Annotated Mild Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OS(=O)(=O)C[C@]12CC[C@@H](CC1=O)C2(C)C)[C@@H]3O ZINC000100840672 JG Annotated Mild Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](O)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000100842605 JG Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](O)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000100842607 JG Annotated Anodyne CCn1c(=O)/c(=C2\Sc3ccccc3N2C)n(CC)/c1=C\c1sc2ccccc2[n+]1CC ZINC000100872291 JG Annotated Anodyne CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 ZINC000100872429 JG Annotated Clean COc1cc2ccc1Oc1cc(ccc1O)/C=C/C(=O)NCCCNCCCCNC(=O)/C=C/2 ZINC000100900168 JG Annotated Anodyne in-vitro C=CCNc1nccc(-c2[nH]c([C@@H]3OC[C@](C)(C(=O)NCCOC)CO3)nc2-c2ccc(F)cc2)n1 ZINC000100913837 JG Annotated Mild O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2c[nH]ccc-2n1 ZINC000100935004 JG Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2[nH]cccc-2n1 ZINC000100935008 JG Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2cc[nH]cc-2n1 ZINC000100935019 JG Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2c(O)[nH]ccc-2n1 ZINC000100935044 JG Annotated Anodyne O=C1CN(S(=O)(=O)c2sc3ccccc3c2Cl)CCN1Cc1cc2c[nH]ccc-2n1 ZINC000100935045 JG Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)[C@@H]2CCC(=O)N2)[C@@]13C(=O)O ZINC000100939937 JG Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)[C@@H]2CCC(=O)N2)[C@@]13C(=O)O ZINC000100939943 JG Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)[C@@H]2CCC(=O)N2)[C@@]13C(=O)O ZINC000100939951 JG Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)[C@@H]2CCC(=O)N2)[C@@]13C(=O)O ZINC000100939959 JG Annotated Mild CC(=O)Oc1cc2c(cc1OC(C)=O)[C@@H]1Cc3cc(OC(C)=O)c(OC(C)=O)cc3[C@@H](C2)N1C(C)=O ZINC000100968497 JG Annotated Anodyne O=C(NN1[C@H]2CC[C@@H]1C[C@H](OC(=O)Cc1ccccc1)C2)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000100971018 JG Annotated Anodyne COC(=O)c1c(C)[nH]c2c1[C@@]13C[C@H]1CN(C(=O)c1cc4cc(OC)c(OC)c(OC)c4[nH]1)C3=CC2=O ZINC000100979284 JG Annotated Mild COC(=O)c1[nH]c(-c2ccc3c(n2)C(=O)C(NC(C)=O)=CC3=O)c2nc3ccccc3c-2c1C ZINC000100980999 JG Annotated Mild CSc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)c1 ZINC000100994161 JG Annotated Anodyne CSc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)c1 ZINC000100994165 JG Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000100994208 JG Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000100994211 JG Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@H](CN4CCOCC4)C2)[C@]13C(=O)O ZINC000100998795 JG Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@H](CN4CCOCC4)C2)[C@]13C(=O)O ZINC000100998805 JG Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C2=NO[C@H](CN4CCOCC4)C2)[C@]13C(=O)O ZINC000100998809 JG Annotated Mild O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NCc1cccs1 ZINC000101005289 JG Annotated Anodyne Cc1ccsc1CNn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101007452 JG Annotated Anodyne Cc1cccc(CNn2c(=O)c(C3=NS(=O)(=O)c4ccccc4N3)c(O)c3ccccc32)c1 ZINC000101008157 JG Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NCC1CCCCC1 ZINC000101008837 JG Annotated Anodyne Cc1ccccc1CNn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101012496 JG Annotated Anodyne Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4nc5cc(Cl)ccc5s4)CC3)cc21 ZINC000101017612 JG Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000101029670 JG Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000101029673 JG Annotated Anodyne Cc1nc(Cn2c(=O)c(C3=NS(=O)(=O)c4ccccc4N3)c(O)c3ccccc32)cs1 ZINC000101034427 JG Annotated Anodyne CCCC(=O)NC1=CC(=O)c2ccc(-c3[nH]c(C(N)=O)cc4c5ccccc5nc3-4)nc2C1=O ZINC000101034741 JG Annotated Mild N#Cc1ccccc1Cn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101035651 JG Annotated Mild C[C@H](Br)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101035977 JG Annotated Reactive C[C@@H](Br)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101035978 JG Annotated Reactive CC(C)(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(NCCO)ccc21 ZINC000101036120 JG Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000101036462 JG Annotated Bother CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(C(=O)O)ccc21 ZINC000101037180 JG Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2c([N+](=O)[O-])cccc21 ZINC000101037738 JG Annotated Bother C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CCCC(=O)NCCCCCCO)C[C@H]2[C@H](O)/C=C/C(=O)O1 ZINC000101044125 JG Annotated Anodyne CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 ZINC000101046766 JG Annotated Clean CO/C(O)=C(C#N)/C(=N\[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)Nc1ccc2oc(C)cc2c1 ZINC000101060720 JG Annotated Reactive CCCOc1ccc2c(c1)S(=O)(=O)NC(c1c(O)c3cccnc3n(CCC(C)C)c1=O)=N2 ZINC000101061489 JG Annotated Anodyne COC(=O)[C@H](NC(=O)C[C@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@@]3(C[C@@H]1O2)NC[C@@H](C)C[C@H]3C)c1ccccc1 ZINC000101064652 JG Annotated Anodyne CC1(C)C(=O)N(C2[C@H]3CC4C[C@H]2CC(C(N)=O)(C4)C3)C[C@@H]1COc1ccc(-n2ccnc2)cc1 ZINC000101065235 JG Annotated Anodyne CC1(C)C(=O)N(C2[C@H]3CC4C[C@H]2CC(C(N)=O)(C4)C3)C[C@H]1COc1ccc(-n2ccnc2)cc1 ZINC000101065236 JG Annotated Anodyne CC1(C)C(=O)N([C@@H]2[C@H]3CC4C[C@@H]2C[C@@](C(N)=O)(C4)C3)C[C@@H]1COc1ccc(-n2ccnc2)cc1 ZINC000101065239 JG Annotated Anodyne CC1(C)C(=O)N([C@@H]2[C@H]3CC4C[C@@H]2C[C@@](C(N)=O)(C4)C3)C[C@H]1COc1ccc(-n2ccnc2)cc1 ZINC000101065243 JG Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(OCC#N)ccc21 ZINC000101077515 JG Annotated Mild COCCOc1ccc2c(c1)c(O)c(C1=NS(=O)(=O)c3ccccc3N1)c(=O)n2CCC(C)C ZINC000101077638 JG Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000101077649 JG Annotated Bother COc1cc(NC(C)=O)c([123I])cc1C(=O)NCCCCN(C)C(C)C ZINC000101088611 JG Annotated Anodyne CN(C[C@@H]1C[C@H](C2=N[C@H](c3cccc(OCc4ccccc4)c3)[C@H]3C(N)=NC=CN23)C1)N1CCNCC1 ZINC000101101531 JG Annotated Anodyne CN(C[C@@H]1C[C@H](C2=N[C@@H](c3cccc(OCc4ccccc4)c3)[C@H]3C(N)=NC=CN23)C1)N1CCNCC1 ZINC000101101533 JG Annotated Anodyne CCc1c(Cc2cc(C)cc(C)c2)n(COCc2ccc(C(=O)/C=C(\O)C(=O)O)cc2)c(=O)[nH]c1=O ZINC000101108881 JG Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)/C=C/c2ccccc2)[C@@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000101122074 JG Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)/C=C/c2ccccc2)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000101122078 JG Annotated Mild C=C1[C@H]2C[C@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)/C=C/c2ccccc2)[C@@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000101122081 JG Annotated Mild COc1ccc(N2/C(=N/C(=O)c3ccc(Br)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101122874 JG Annotated Mild COc1ccc(N2/C(=N/C(=O)c3ccc(Br)cc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101122875 JG Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@@]3(C[C@]5(OC(=O)/C=C/c2ccccc2)[C@H]67)[C@@H]1O ZINC000101125237 JG Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(OC(=O)/C=C/c2ccccc2)[C@H]67)[C@@H]1O ZINC000101125238 JG Annotated Mild C=C1[C@H]2C[C@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@@]3(C[C@]5(OC(=O)/C=C/c2ccccc2)[C@H]67)[C@@H]1O ZINC000101125239 JG Annotated Mild C/N=C1\S[C@H](CC(=O)Nc2ccc(C)cc2C)C(=O)N1/N=C(\C)c1ccc(OCC(=O)O)cc1 ZINC000101167197 JG Annotated Mild Cc1ccc(S(=O)(=O)N[C@@H]2[C@@H]3C[C@](c4ccc(F)cc4)(CO3)[C@H]2C/C=C\COCC(=O)O)cc1 ZINC000101167298 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2[C@H]3C[C@@](c4ccc(F)cc4)(CO3)[C@H]2C/C=C\COCC(=O)O)cc1 ZINC000101167308 JG Annotated Anodyne CO[C@@H]1[C@@H](C)O[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]34C(=O)O)[C@@H]2O[C@@H]21 ZINC000101192520 JG Annotated Mild CO[C@@H]1[C@@H](C)O[C@H](OC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)[C@@H]2O[C@@H]21 ZINC000101192521 JG Annotated Mild Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)N(C3CC3)C(=O)[C@H]24)cc1C ZINC000101198472 JG Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)N(C3CC3)C(=O)[C@H]24)cc1C ZINC000101198475 JG Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000101201538 JG Annotated Anodyne Cc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000101201541 JG Annotated Anodyne C=CCN1C(=O)/C(=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 ZINC000101231298 JG Annotated Reactive COC(=O)c1c(C)[nH]c2c1[C@@]13C[C@@H]1Cn1c(O)c4nc5c(OC)c(OC)c(OC)cc5c-4c(c13)C2=O ZINC000101238915 JG Annotated Anodyne COc1ccc(CN2CCN(CCCOc3ccc4c(O)c5nnnc-5oc4c3C)CC2)cc1 ZINC000101247848 JG Annotated Anodyne Cc1cccc(NC(=S)NC[C@@]23C=C[C@H](O2)[C@H]2C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)c1 ZINC000101269625 JG Annotated Anodyne COC(=O)c1ccccc1S(=O)(=O)OCC[C@@H]1CCC[C@@H]2CC[C@@]3(C)OO[C@]12[C@@H](OC)O3 ZINC000101290590 JG Annotated Reactive N#Cc1cc2c(cc1N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)[n+]([O-])c1ccc(Cl)cc1[n+]2[O-] ZINC000101295401 JG Annotated Mild COc1ccccc1N1C(=O)[C@@H]2[C@@H](c3cccs3)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000101314547 JG Annotated Anodyne COc1cccc([C@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)c1 ZINC000101314657 JG Annotated Anodyne Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)[C@@H]1CCOC1)c1cccc(F)c1 ZINC000101330424 JG Annotated Anodyne Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)[C@H]1CCOC1)c1cccc(F)c1 ZINC000101330427 JG Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2cnc(O)nc2O)[C@@]13C(=O)O ZINC000101331798 JG Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2cnc(O)nc2O)[C@@]13C(=O)O ZINC000101331801 JG Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cnc(O)nc2O)[C@@]13C(=O)O ZINC000101331803 JG Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cnc(O)nc2O)[C@@]13C(=O)O ZINC000101331805 JG Annotated Mild O=C(c1cc(Cl)ccc1-n1nccn1)N1C[C@H]2C[C@H](C1)N(c1ncc3cc(F)ccc3n1)C2 ZINC000101334691 JG Annotated Anodyne O=C1CCc2ccc(CC3[C@@H]4CC[C@@H]3CN(C[C@@H]3COc5c(ccc6c5CC(=O)N6)O3)C4)cc2N1 ZINC000101341661 JG Annotated Anodyne O=C1CCc2ccc(CC3[C@H]4CC[C@H]3CN(C[C@@H]3COc5c(ccc6c5CC(=O)N6)O3)C4)cc2N1 ZINC000101341670 JG Annotated Anodyne CC1=NN(c2ccc3c(c2)CCC3)C(=O)/C1=C(/C)NNC(=S)N1CCc2cc(C(=O)O)ccc21 ZINC000101366819 JG Annotated Clean CC1=NN(c2ccc3c(c2)CCC3)C(=O)/C1=C(/C)NNC(=O)N1CCc2cc(C(=O)O)ccc21 ZINC000101366832 JG Annotated Reactive CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000101371096 JG Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000101371100 JG Annotated Anodyne NC(=O)C12CC3C[C@@H](C1)C(OC(=O)N1CC[C@@H](Nc4ncccc4C(F)(F)F)C1)[C@@H](C3)C2 ZINC000101371262 JG Annotated Anodyne NC(=O)[C@]12CC3C[C@@H](C1)[C@@H](OC(=O)N1CC[C@@H](Nc4ncccc4C(F)(F)F)C1)[C@H](C3)C2 ZINC000101371266 JG Annotated Anodyne NC(=O)[C@@]12CC3C[C@@H](C1)[C@H](OC(=O)N1CC[C@@H](Nc4ncccc4C(F)(F)F)C1)[C@H](C3)C2 ZINC000101371270 JG Annotated Anodyne NC(=O)C12CC3C[C@H](C1)C(OC(=O)N1CC[C@@H](Nc4ncccc4C(F)(F)F)C1)[C@H](C3)C2 ZINC000101371272 JG Annotated Anodyne NC(=O)C12CC3C[C@@H](C1)C(OC(=O)N1CC[C@@H](Nc4ccc(C(F)(F)F)cn4)C1)[C@@H](C3)C2 ZINC000101371294 JG Annotated Anodyne NC(=O)[C@]12CC3C[C@@H](C1)[C@@H](OC(=O)N1CC[C@@H](Nc4ccc(C(F)(F)F)cn4)C1)[C@H](C3)C2 ZINC000101371297 JG Annotated Anodyne NC(=O)[C@@]12CC3C[C@@H](C1)[C@H](OC(=O)N1CC[C@@H](Nc4ccc(C(F)(F)F)cn4)C1)[C@H](C3)C2 ZINC000101371302 JG Annotated Anodyne NC(=O)C12CC3C[C@H](C1)C(OC(=O)N1CC[C@@H](Nc4ccc(C(F)(F)F)cn4)C1)[C@H](C3)C2 ZINC000101371306 JG Annotated Anodyne NC(=O)C12CC3C[C@@H](C1)C(OC(=O)N1CC[C@H](Nc4ncccc4C(F)(F)F)C1)[C@@H](C3)C2 ZINC000101371321 JG Annotated Anodyne NC(=O)[C@@]12CC3C[C@@H](C1)[C@@H](OC(=O)N1CC[C@H](Nc4ncccc4C(F)(F)F)C1)[C@H](C3)C2 ZINC000101371323 JG Annotated Anodyne NC(=O)[C@]12CC3C[C@@H](C1)[C@H](OC(=O)N1CC[C@H](Nc4ncccc4C(F)(F)F)C1)[C@H](C3)C2 ZINC000101371330 JG Annotated Anodyne NC(=O)C12CC3C[C@H](C1)C(OC(=O)N1CC[C@H](Nc4ncccc4C(F)(F)F)C1)[C@H](C3)C2 ZINC000101371333 JG Annotated Anodyne NC(=O)C12CC3C[C@@H](C1)C(OC(=O)N1CC[C@H](Nc4ccc(C(F)(F)F)cn4)C1)[C@@H](C3)C2 ZINC000101371335 JG Annotated Anodyne NC(=O)[C@]12CC3C[C@@H](C1)[C@@H](OC(=O)N1CC[C@H](Nc4ccc(C(F)(F)F)cn4)C1)[C@H](C3)C2 ZINC000101371337 JG Annotated Anodyne NC(=O)[C@@]12CC3C[C@@H](C1)[C@H](OC(=O)N1CC[C@H](Nc4ccc(C(F)(F)F)cn4)C1)[C@H](C3)C2 ZINC000101371341 JG Annotated Anodyne NC(=O)C12CC3C[C@H](C1)C(OC(=O)N1CC[C@H](Nc4ccc(C(F)(F)F)cn4)C1)[C@H](C3)C2 ZINC000101371345 JG Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(CCC(C)C)[C@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)c1 ZINC000101371937 JG Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(CCC(C)C)[C@@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)c1 ZINC000101371940 JG Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(OCC)cc3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101373533 JG Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(OCC)cc3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101373536 JG Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2cccc(N3C(=O)N[C@@H]4C[C@]3(C)Oc3ccccc34)c2)CC1 ZINC000101379030 JG Annotated Anodyne COC(=O)[C@H](NC(=O)C[C@@]12C[C@@H](C)C[C@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)c1ccccc1 ZINC000101402835 JG Annotated Anodyne CC(=O)Nc1nc(C)c(S(=O)(=O)N(C)[C@@H]2CC[C@@H]([C@H](N)Cc3cc(F)ccc3F)CC2)s1 ZINC000101403158 JG Annotated Anodyne CCOC(=O)N1CCC(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@@H]4C2=O)CC1 ZINC000101411426 JG Annotated Anodyne CC(C)c1c(Cc2ccccc2)n(COCc2ccc(C(=O)/C=C(\O)C(=O)O)cc2)c(=O)[nH]c1=O ZINC000101412990 JG Annotated Mild Cc1c(Nc2ccc(F)cc2C#N)ncnc1OC1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1 ZINC000101417639 JG Annotated Mild Cc1c(Nc2ccc(C#N)cc2F)ncnc1OC1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1 ZINC000101417643 JG Annotated Mild CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)CN2CCSc3cc(Cl)ccc32)CC1 ZINC000101441302 JG Annotated Anodyne C=C1[C@@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000101493353 JG Annotated Mild C[C@@H]1CC[C@@H]2[C@@H](C)[C@](C(=O)OCCC(=O)O)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 ZINC000101497372 JG Annotated Reactive C[C@@H]1CC[C@@H]2[C@@H](C)[C@](C(=O)OCCC(=O)O)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 ZINC000101497382 JG Annotated Reactive CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1cc(Cl)ccc1C)C(=O)N1CCOCC1 ZINC000101507850 JG Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1cc(Cl)ccc1C)C(=O)N1CCOCC1 ZINC000101507853 JG Annotated Anodyne O=C(Nc1ccc(N2CCOCC2=O)cc1)[C@@H]1[C@@H]2CC[C@H](C2)N1C(=O)Cc1ccc(Cl)cc1 ZINC000101511148 JG Annotated Anodyne O=C(O)c1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000101520934 JG Annotated Bother O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 ZINC000101521135 JG Annotated Bother CC/C=C\C[C@@H]1[C@H](CC(=O)CCCCCCCCC(=O)O)O[C@]2(O)C[C@]13C(=CC2=O)NC[C@@H]3O ZINC000101556252 JG Annotated Mild CC/C=C\C[C@@H]1[C@H](CC(=O)CCCCCCCCC(=O)O)O[C@]2(O)C[C@@]13C(=CC2=O)NC[C@@H]3O ZINC000101556255 JG Annotated Mild C/C=C/C=C/C(=O)[C@@H]1[C@@H]([C@@H]2OC(=O)C(C)=C2O)[C@H]2/C(=C(O)\C=C\C=C\C)C(=O)[C@]1(C)C(=O)[C@@]2(C)O ZINC000101563508 JG Annotated Mild C[C@@]12NC(=O)[C@H](C[C@@]13C(=O)N(Cc1ccccc1)c1ccccc13)n1c2nc2ccccc2c1=O ZINC000101584902 JG Annotated Anodyne C/C1=C/CC(=O)O[C@@]23C(=O)N[C@@H](Cc4ccc(O)cc4)[C@@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3/C=C/C[C@H](C)C1=O ZINC000101597618 JG Annotated Mild CCOC(=O)[C@H](CC(C)C)N/C(C)=C1\C(=O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@@]2(C)C1=O ZINC000101599163 JG Annotated Mild CCOC(=O)/C(=N\Nc1ccc(C(C)=O)cc1)C(=O)c1nn2c(nc(=O)c3ccc(Cl)cc32)s1 ZINC000101621097 JG Annotated Mild CN1CCN(c2ccc(-c3c4c(=O)[nH]c(=S)[nH]c4nc4[nH]c(=S)sc(=N)c34)cc2)CC1 ZINC000101630484 JG Annotated Bother O=C(COC(=O)CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)NC(=O)NCc1ccco1 ZINC000101633950 JG Annotated Anodyne CCC1=C(C)C[C@H](C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)C1=O ZINC000101640590 JG Annotated Mild CCC1=C(C)C[C@@H](C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)C1=O ZINC000101640593 JG Annotated Mild O=C(COC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000101643390 JG Annotated Anodyne O=C(COC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000101643392 JG Annotated Anodyne Cc1nc[nH]c1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12 ZINC000101647781 JG Annotated Anodyne C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)/C=C/[C@@H](C)[C@H]1O ZINC000101651555 JG Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@@H](C)[C@@H](O)[C@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000101651560 JG Annotated Anodyne C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)/C=C/[C@@H](C)[C@@H]1O ZINC000101651563 JG Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@@H](C)[C@H](O)[C@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000101651566 JG Annotated Anodyne CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cccc(C(=O)/C=C(\O)C(=O)O)c3[nH]2)CC1 ZINC000101659277 JG Annotated Mild CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1CC[C@H](COC(=O)OC[C@@H]2C[C@]3(CO3)CC(C)(C)O2)CC1 ZINC000101661773 JG Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@@](C)(O)C[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000101670647 JG Annotated Anodyne N#Cc1cnccc1COc1cnc(N2C[C@@H]3CC[C@@H](C2)N3C(=O)O[C@@H]2CC(F)(F)C2(F)F)nc1 ZINC000101677662 JG Annotated Mild N#Cc1cnccc1COc1cnc(N2C[C@H]3CC[C@H](C2)N3C(=O)O[C@@H]2CC(F)(F)C2(F)F)nc1 ZINC000101677665 JG Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCCCCCCCN)C(=O)[C@@]12C ZINC000101679698 JG Annotated Mild C[C@@]12NC(=O)[C@H](C[C@]13C(=O)N(Cc1ccccc1)c1ccccc13)n1c2nc2ccccc2c1=O ZINC000101682917 JG Annotated Anodyne COc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1 ZINC000101697676 JG Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)CCCCCCCCC(=O)O)O[C@]2(O)C[C@]13C(=CC2=O)NC[C@@H]3O ZINC000101697940 JG Annotated Mild CCCCC[C@@H]1[C@H](CC(=O)CCCCCCCCC(=O)O)O[C@]2(O)C[C@@]13C(=CC2=O)NC[C@@H]3O ZINC000101697941 JG Annotated Mild N=c1sc(=S)[nH]c2nc3[nH]c(=S)[nH]c(=O)c3c(-c3ccc(N4CCOCC4)cc3)c12 ZINC000101700670 JG Annotated Bother C[C@]12C[C@@]34C[C@H]1C[C@@H](O2)[C@@H]3[C@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)C(=O)[C@@H]1C[C@@H]14 ZINC000101709825 JG Annotated Anodyne C=CCSc1nc(=O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1-c1ccccc1 ZINC000101738856 JG Annotated Mild C=CCSc1nc(=O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1-c1ccccc1 ZINC000101738859 JG Annotated Mild CCN(CC)CCCn1c(=O)/c(=C\c2ccc(F)c(F)c2)s/c1=C1\C(=O)Nc2ccc(F)cc21 ZINC000101745138 JG Annotated Anodyne CCN(CC)CCCn1c(=O)/c(=C/c2ccc(F)c(F)c2)s/c1=C1\C(=O)Nc2ccc(F)cc21 ZINC000101745141 JG Annotated Anodyne CCN(CC)CCCn1c(=O)/c(=C\c2ccc(F)c(F)c2)s/c1=C1\C(=O)Nc2cc(F)ccc21 ZINC000101746069 JG Annotated Anodyne CCN(CC)CCCn1c(=O)/c(=C/c2ccc(F)c(F)c2)s/c1=C1\C(=O)Nc2cc(F)ccc21 ZINC000101746074 JG Annotated Anodyne CCN(CC)CCCn1c(=O)/c(=C\c2ccc(F)cc2F)s/c1=C1\C(=O)Nc2cc(F)ccc21 ZINC000101748663 JG Annotated Anodyne CCN(CC)CCCn1c(=O)/c(=C/c2ccc(F)cc2F)s/c1=C1\C(=O)Nc2cc(F)ccc21 ZINC000101748665 JG Annotated Anodyne Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)C[C@@H]5C[C@@H]6CC[C@@H]5C6)CC4)c(F)c3)C(=O)O2)nn1 ZINC000101809904 JG Annotated Anodyne Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)C[C@H]5C[C@@H]6CC[C@@H]5C6)CC4)c(F)c3)C(=O)O2)nn1 ZINC000101809909 JG Annotated Anodyne CN1C(=O)[C@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)[C@@H]2C1=O ZINC000101823134 JG Annotated Anodyne CN1C(=O)[C@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)[C@H]2C1=O ZINC000101823137 JG Annotated Anodyne CN1C(=O)[C@H]2C(c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)=NO[C@H]2C1=O ZINC000101823141 JG Annotated Anodyne CN1C(=O)[C@@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)[C@H]2C1=O ZINC000101823147 JG Annotated Anodyne O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1cc2[nH]c(-c3ccco3)c(C3CCCCC3)c(=O)n2n1 ZINC000101843436 JG Annotated Anodyne C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OC/C(O)=C(\C#N)c3nc4ccccc4[nH]3)c2)C[C@@H](C)O1 ZINC000101850822 JG Annotated Reactive C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OC/C(O)=C(\C#N)c3nc4ccccc4[nH]3)c2)C[C@H](C)O1 ZINC000101850828 JG Annotated Reactive C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OC/C(O)=C(\C#N)c3nc4ccccc4[nH]3)c2)C[C@@H](C)O1 ZINC000101850834 JG Annotated Reactive C=C1C(=O)[C@]23C[C@@]1(Cl)CC[C@H]2[C@@]12C=CC(=O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OCc1ccccc1 ZINC000101865797 JG Annotated Mild O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)c1cc2[nH]c(-c3ccco3)c(C3CCCCC3)c(=O)n2n1 ZINC000101868184 JG Annotated Anodyne Cc1c2c(nc3[nH]c(=S)n(-c4ccc(S(=O)(=O)Nc5ncccn5)cc4)c(=N)c13)CCCC2 ZINC000101875367 JG Annotated Anodyne Cc1cc(NS(=O)(=O)c2ccc(-n3cnc4nc5c(c(C)c4c3=N)C(=O)CC(C)(C)C5)cc2)no1 ZINC000101883768 JG Annotated Anodyne CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C/C(=O)OCC/C(C)=C\C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1 ZINC000101886394 JG Annotated Anodyne C=C1C(=O)[C@]23C[C@@]1(F)CC[C@H]2[C@@]12C=CC(=O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OCc1ccccc1 ZINC000101912154 JG Annotated Mild C=C1C(=O)[C@]23C[C@@]1(OCC)CC[C@H]2[C@@]12C=CC(=O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OCc1ccccc1 ZINC000101918900 JG Annotated Mild CO[C@H]1[C@@H]2O[C@@H]2[C@@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]34C(=O)O)O[C@@H]1C ZINC000101972459 JG Annotated Mild CO[C@H]1[C@@H]2O[C@@H]2[C@@H](OC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)O[C@@H]1C ZINC000101972466 JG Annotated Mild CC(C)C[C@@]1(C(=O)O)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000102036515 JG Annotated Bother CC(C)C[C@]1(C(=O)O)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000102036518 JG Annotated Bother C/C=C/C=C/C(=O)C1=C(O)[C@@]2(C)[C@H]3C(C(=O)CC/C=C/C)=C(O)[C@@]4(C)[C@H]1[C@]1(C)O[C@@]4(O)[C@@]3(C)O[C@@]12O ZINC000102042624 JG Annotated Mild C/C=C/C=C/C(=O)C1=C(O)[C@@]2(C)[C@@H]3C(C(=O)CC/C=C/C)=C(O)[C@@]4(C)[C@H]1[C@]1(C)O[C@@]4(O)[C@@]3(C)O[C@@]12O ZINC000102042632 JG Annotated Mild C/C=C/C=C/C(=O)C1=C(O)[C@@]2(C)[C@@H]3C(C(=O)CC/C=C/C)=C(O)[C@@]4(C)[C@@H]1[C@]1(C)O[C@@]4(O)[C@@]3(C)O[C@@]12O ZINC000102042637 JG Annotated Mild C/C1=C\C(=O)OC[C@]23CC[C@]4(C)C[C@H]4[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C\C(=O)OCC1)[C@@]3(C)[C@]21CO1 ZINC000102047619 JG Annotated Anodyne CC(C)c1c(Cc2ccccc2)n(COCCc2ccc(C(=O)/C=C(\O)C(=O)O)cc2)c(=O)[nH]c1=O ZINC000102056292 JG Annotated Mild COc1cc(NC(=O)C2CCC(C/N=c3\c(N4CCC(C)CC4)c(O)c3=O)CC2)cc(OC)c1 ZINC000102061384 JG Annotated Anodyne C[C@@]12C[C@@]34C=CC(=O)[C@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@H]3[C@@H](O1)[C@@H](Cl)[C@H]2C4 ZINC000102062880 JG Annotated Mild COC(=O)[C@@H](NC(=O)C[C@@]12C[C@@H](C)C[C@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)c1ccccc1 ZINC000102071414 JG Annotated Anodyne Cc1cnc([C@@H]2C[C@@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)nc2)o1 ZINC000102071430 JG Annotated Anodyne Cc1cnc([C@H]2C[C@@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)nc2)o1 ZINC000102071435 JG Annotated Anodyne N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000102076077 JG Annotated Reactive CC(C)c1c(Cc2ccccc2)[nH]c(=O)n(CCc2ccc(C(=O)/C=C(\O)C(=O)O)cc2)c1=O ZINC000102078258 JG Annotated Mild COc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)c3ccccc3C4=O)cc2c1 ZINC000102082632 JG Annotated Reactive C=CCNC(=S)N/N=C/c1ccc2c(c1)[n+]([O-])c(C(=O)Nc1ccccc1)c(-c1ccccc1)[n+]2[O-] ZINC000102087402 JG Annotated Mild CC[C@@H](C)/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2CC3=C(CO[C@H](CO)C3)C(=O)[C@]2(C)OC1=O ZINC000102131897 JG Annotated Mild CC[C@H](C)/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2CC3=C(CO[C@H](CO)C3)C(=O)[C@]2(C)OC1=O ZINC000102131901 JG Annotated Mild CC[C@@H](C)/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2CC3=C(CO[C@@H](CO)C3)C(=O)[C@]2(C)OC1=O ZINC000102131906 JG Annotated Mild CC[C@H](C)/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2CC3=C(CO[C@@H](CO)C3)C(=O)[C@]2(C)OC1=O ZINC000102131910 JG Annotated Mild CC[C@@H](C)/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2C=C3C[C@H](CO)OC=C3C(=O)[C@]2(C)OC1=O ZINC000102134306 JG Annotated Mild CC[C@H](C)/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2C=C3C[C@H](CO)OC=C3C(=O)[C@]2(C)OC1=O ZINC000102134309 JG Annotated Mild CC[C@@H](C)/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2C=C3C[C@@H](CO)OC=C3C(=O)[C@]2(C)OC1=O ZINC000102134313 JG Annotated Mild CC[C@H](C)/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2C=C3C[C@@H](CO)OC=C3C(=O)[C@]2(C)OC1=O ZINC000102134317 JG Annotated Mild COc1cc(OC)c([C@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2CCCC3)cc1OC ZINC000102145537 JG Annotated Reactive COc1cc(OC)c([C@@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2CCCC3)cc1OC ZINC000102145539 JG Annotated Reactive O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C2CC2)C(=O)[C@H]13 ZINC000102148986 JG Annotated Anodyne O=C(NC1CCCCC1)[C@H]1N(C2CC2)C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]3C=C[C@@]12O3 ZINC000102148990 JG Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000102149350 JG Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000102149354 JG Annotated Anodyne CSc1cccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C(C)C)[C@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)c1 ZINC000102152949 JG Annotated Anodyne CSc1cccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C(C)C)[C@@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)c1 ZINC000102152957 JG Annotated Anodyne N#CCC(=O)Nc1ccc(C(=O)OCC(=O)/N=c2\sccn2Cc2ccccc2Cl)cc1 ZINC000102155402 JG Annotated Mild O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/N=C1/SCC(=O)N1c1ccc(Br)cc1 ZINC000102173728 JG Annotated Mild C=C1[C@@H](O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000102186654 JG Annotated Mild in-vitro biogenic O=C(O)c1cn2c(n1)CN(c1cc3c(cc1F)c(=O)c(C(=O)O)c1sc4ccccc4n13)CC2 ZINC000102208958 JG Annotated Bother Cc1c(N2C(=O)C(Cl)=C(Nc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000102251154 JG Annotated Bother CCNC(=O)Nc1nc2cc(-c3cnc(CN4CCOCC4)nc3)cc(-c3ncccc3F)c2[nH]1 ZINC000102264492 JG Annotated Anodyne CO[C@@H]1[C@@H](C)O[C@@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]34C(=O)O)[C@@H]2O[C@H]12 ZINC000102307531 JG Annotated Mild CO[C@@H]1[C@@H](C)O[C@@H](OC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)[C@@H]2O[C@H]12 ZINC000102307534 JG Annotated Mild CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](C)[C@H](O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000102314922 JG Annotated Anodyne COC(=O)[C@@H](NC(=O)C[C@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@@]3(C[C@@H]1O2)NC[C@@H](C)C[C@H]3C)c1ccccc1 ZINC000102345935 JG Annotated Anodyne COc1ccc(OC)c(NC(=O)C2CCC(C/N=c3\c(N4CCC(C)CC4)c(O)c3=O)CC2)c1 ZINC000102352353 JG Annotated Anodyne Cc1ccsc1CCNC(=O)C1CCC(CNc2c(N3CCC(C)CC3)c(=O)c2=O)CC1 ZINC000102359702 JG Annotated Anodyne CC(C)N1C(=O)/C(=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 ZINC000102376025 JG Annotated Reactive CC(C)(C(=O)N[C@@H]1CCN[P@@](=O)(N(CCCl)CCCl)O1)c1ccccc1[N+](=O)[O-] ZINC000102408185 JG Annotated Reactive C[C@@H](c1ccccc1)N1C(=O)[C@H]2CC[C@@H]3/C(=N\OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O ZINC000102410410 JG Annotated Mild CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C\[C@H]1C ZINC000102475685 JG Annotated Anodyne CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccncc2)cc1 ZINC000102489030 JG Annotated Mild CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccncc2)cc1 ZINC000102489038 JG Annotated Mild COc1cccc([C@H]2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)c1 ZINC000102489761 JG Annotated Mild COc1cccc([C@@H]2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)c1 ZINC000102489768 JG Annotated Mild C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102496704 JG Annotated Mild C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102496711 JG Annotated Mild COc1ccc(OC)c([C@H]2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)c1 ZINC000102502691 JG Annotated Mild COc1ccc(OC)c([C@@H]2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)c1 ZINC000102502699 JG Annotated Mild COc1cccc([C@H]2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)c1OC ZINC000102513091 JG Annotated Mild COc1cccc([C@@H]2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)c1OC ZINC000102513102 JG Annotated Mild C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000102520564 JG Annotated Mild C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000102520571 JG Annotated Mild Cc1ccc([C@@H]2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCCN2CCOCC2)o1 ZINC000102526224 JG Annotated Mild Cc1ccc([C@H]2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCCN2CCOCC2)o1 ZINC000102526228 JG Annotated Mild COc1ccccc1[C@H]1/C(=C(/O)c2cnn(-c3ccccc3)c2C)C(=O)C(=O)N1CCN(C)C ZINC000102527331 JG Annotated Mild COc1ccccc1[C@@H]1/C(=C(/O)c2cnn(-c3ccccc3)c2C)C(=O)C(=O)N1CCN(C)C ZINC000102527336 JG Annotated Mild CCOc1cccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000102530085 JG Annotated Mild CCOc1cccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000102530090 JG Annotated Mild CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102535097 JG Annotated Mild CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102535104 JG Annotated Mild C=CCOc1cccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102542289 JG Annotated Mild C=CCOc1cccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102542295 JG Annotated Mild CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C\[C@@H]1C ZINC000102568914 JG Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(OC)cc4)cc3)N3CCCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000102642566 JG Annotated Anodyne C[C@@H](c1ccccc1)N1C(=O)[C@H]2CC[C@H]3/C(=N\OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O ZINC000102642931 JG Annotated Mild CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(OC)cc4)c(OC)c3)N3CCCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000102648961 JG Annotated Anodyne CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000102704360 JG Annotated Mild CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000102704364 JG Annotated Mild CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccncc2)cc1 ZINC000102704844 JG Annotated Mild CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccncc2)cc1 ZINC000102704846 JG Annotated Mild CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(F)cc3)c(OC)c1)N1CCC[C@@]21C(=O)OC ZINC000102707194 JG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(C(C)=O)cc3)cc1)N1CCC[C@@]21C(=O)OC ZINC000102716367 JG Annotated Anodyne COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Br)cc2)c1 ZINC000102737985 JG Annotated Mild COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)c1 ZINC000102737990 JG Annotated Mild O=C1CCC/C(=N\NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1 ZINC000102749071 JG Annotated Reactive C[C@H]1C/C=C/[C@@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)O/C=C/[C@](C)(O)C1=O ZINC000102761313 JG Annotated Anodyne COc1cc(/C=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc(OC)c1O ZINC000102800477 JG Annotated Reactive O=C1CC(c2ccc(P(=O)(OCOC(=O)C3CCCC3)OCOC(=O)C3CCCC3)o2)=NO1 ZINC000102810721 JG Annotated Mild CCCN1C(=O)CN/C1=N\c1ccc2cc3ccc(/N=C4\NCC(=O)N4CCC)cc3nc2c1 ZINC000102820652 JG Annotated Mild CCN(CCNC(=O)c1cnc2cc([125I])ccc2n1)c1cccc(F)n1 ZINC000102826517 JG Annotated Anodyne COC(=O)c1ccc(O)c(NC(=O)CC[C@]2(C)C(=O)C=C[C@]34C[C@@H]5C[C@H](O[C@]5(C)C3)[C@@H]42)c1O ZINC000102830812 JG Annotated Mild COC(=O)c1ccc(O)c(NC(=O)CC[C@]2(C)C(=O)C=C[C@]34C[C@H]5C[C@H](O[C@]5(C)C3)[C@@H]42)c1O ZINC000102830816 JG Annotated Mild COC(=O)c1ccc(O)c(NC(=O)CC[C@]2(C)C(=O)C=C[C@]34C[C@@H]5C[C@H](O[C@]5(C)C3)[C@H]42)c1O ZINC000102830822 JG Annotated Mild COC(=O)c1ccc(O)c(NC(=O)CC[C@]2(C)C(=O)C=C[C@]34C[C@H]5C[C@H](O[C@]5(C)C3)[C@H]42)c1O ZINC000102830827 JG Annotated Mild COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccc(C(C)=O)cc3)cc1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000102852089 JG Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4cc(C(C)=O)cs4)cc3)N3CCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000102860759 JG Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccc(F)cc3)c(OC)c1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000102866424 JG Annotated Anodyne CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N/CC3CC3)[C@]2(C)[C@H]2C1=CC[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000102888082 JG Annotated Mild C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@@H]2C[C@@H]1C[C@H]3O ZINC000102893322 JG Annotated Mild C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@H]2C[C@@H]1C[C@H]3O ZINC000102893323 JG Annotated Mild C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@@H]2C[C@@H]1[C@@H](O)C3 ZINC000102893820 JG Annotated Mild C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@H]2C[C@@H]1[C@@H](O)C3 ZINC000102893822 JG Annotated Mild C=C1[C@H](O)[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@@H]2C[C@H]1CC3 ZINC000102893835 JG Annotated Mild C=C1[C@H](O)[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@H]2C[C@H]1CC3 ZINC000102893839 JG Annotated Mild N#C/C(C(=O)Nc1ccc(Cl)cc1)=c1/s/c(=C\c2ccccc2O)c(=O)n1-c1ccccc1 ZINC000102896237 JG Annotated Mild COc1cc(NC(C)=O)c(I)cc1C(=O)NCCCCN1C[C@@H]2CC[C@@H]1C2 ZINC000102896615 JG Annotated Anodyne COc1ccc(C2=Nc3ccccc3NC(=O)[C@@H]2N(Cc2ccccc2)C(=O)C2=NNC(=O)CC2)cc1 ZINC000102910213 JG Annotated Anodyne COc1ccc(C2=Nc3ccccc3NC(=O)[C@H]2N(Cc2ccccc2)C(=O)C2=NNC(=O)CC2)cc1 ZINC000102910214 JG Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(=O)c1ccc(F)cc1 ZINC000102921044 JG Annotated Bother Cc1ccc(S(=O)(=O)Nn2c(S)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1 ZINC000102922869 JG Annotated Mild CCOC(=O)C1=C(C)N(Cc2ccccc2)[C@@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@@]312 ZINC000102923004 JG Annotated Mild CCOC(=O)C1=C(C)N(Cc2ccccc2)[C@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@@]312 ZINC000102923005 JG Annotated Mild C/C(=N/NC(N)=S)[C@@H](CN1CCOCC1)[C@@H](C1=C(O)c2ccccc2OC1)c1ccccc1 ZINC000102940704 JG Annotated Mild C/C(=N/NC(N)=S)[C@H](CN1CCOCC1)[C@@H](C1=C(O)c2ccccc2OC1)c1ccccc1 ZINC000102940706 JG Annotated Mild O=C(O)C1=C(O)[C@H](C(=O)O)[C@]23CCCCCCCCCC[C@@]12[C@H](C(=O)O)C(O)=C3C(=O)O ZINC000102945945 JG Annotated Anodyne C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1C(=O)CC(=O)N(c2ccccc2)C1=S ZINC000102951308 JG Annotated Anodyne O=C(N/N=C(\C1=Nc2ccc(Cl)cc2N[C@H]1O)[C@@H](O)/C=C/c1ccccc1)c1ccncc1 ZINC000102952369 JG Annotated Reactive O=C(N/N=C(\C1=Nc2ccc(Cl)cc2N[C@H]1O)[C@H](O)/C=C/c1ccccc1)c1ccncc1 ZINC000102952372 JG Annotated Reactive C[C@@H](C(=O)c1ccc(Cl)cc1)/C(=N/NC(=O)NN)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000102952720 JG Annotated Reactive C[C@H](C(=O)c1ccc(Cl)cc1)/C(=N/NC(=O)NN)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000102952722 JG Annotated Reactive C[C@@H](Oc1ccccc1Cl)C(=O)NN1C(=O)CC(=O)N(c2ccc(Cl)cc2)C1=S ZINC000102957417 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)c2c(nn(-c3ccccc3)c2O)C[C@@]1(O)OCC ZINC000102958877 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)c2c(nn(-c3ccccc3)c2O)C[C@@]1(O)OCC ZINC000102958878 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)c2c(nn(-c3ccccc3)c2O)C[C@@]1(O)OCC ZINC000102958879 JG Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)c2c(nn(-c3ccccc3)c2O)C[C@@]1(O)OCC ZINC000102958880 JG Annotated Anodyne COc1cc(/C=C2\NC(=O)[C@H]3Cc4c(OC)c(C)c(OC)c(OC)c4[C@H]2N3C)c(OC)c(C)c1OC ZINC000102964545 JG Annotated Anodyne COc1cc(/C=C2\NC(=O)[C@@H]3Cc4c(OC)c(C)c(OC)c(OC)c4[C@@H]2N3C)c(OC)c(C)c1OC ZINC000102964546 JG Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000102980249 JG Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000102980252 JG Annotated Anodyne CSC1=Nc2c(c(C)c(-c3ccccc3)n2CCCN2CCN(C)CC2)C2=NC(=O)CN12 ZINC000102988485 JG Annotated Anodyne CC(C)(C)OC(=O)N1O[C@H]2CC[C@H]1C21CCN(c2ccc(N3C[C@H](CN)OC3=O)cc2F)CC1 ZINC000102990376 JG Annotated Anodyne CC(C)(C)OC(=O)N1O[C@@H]2CC[C@@H]1C21CCN(c2ccc(N3C[C@H](CN)OC3=O)cc2F)CC1 ZINC000102990379 JG Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](C[C@@H](OC(C)=O)[C@@]52COC(C)=O)[C@@H]63)CC[C@@H]41 ZINC000102991673 JG Annotated Anodyne CC(C)(C)OC(=O)N1O[C@H]2CC[C@H]1C21CCN(c2ccc(N3C[C@H](CO)OC3=O)cc2F)CC1 ZINC000102992963 JG Annotated Anodyne CC(C)(C)OC(=O)N1O[C@@H]2CC[C@@H]1C21CCN(c2ccc(N3C[C@H](CO)OC3=O)cc2F)CC1 ZINC000102992968 JG Annotated Anodyne NC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1C[C@H](c2ncon2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000102997825 JG Annotated Anodyne C[C@@]1(C#N)C[C@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000102999832 JG Annotated Mild C[C@@]1(C#N)C[C@@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000102999872 JG Annotated Mild CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(=O)c1cccc(F)c1 ZINC000103001195 JG Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(=O)c1cccc(OC)c1 ZINC000103001207 JG Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1ccccc1 ZINC000103001330 JG Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1ccccc1F ZINC000103001333 JG Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N/C(=O)c1ccccc1C ZINC000103001362 JG Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N/C(=O)c1ccccc1C ZINC000103001365 JG Annotated Bother O=C1C(NCCc2cc(Br)c(O)c(Br)c2)=CC(=O)c2ncccc21 ZINC000103013810 JG Annotated Mild CCCNC(=O)N1C[C@H](CN2CCN(c3ccccc3)CC2)O/C1=N/C(=O)Nc1ccccc1 ZINC000103014518 JG Annotated Mild CCCNC(=O)N1C[C@@H](CN2CCN(c3ccccc3)CC2)O/C1=N/C(=O)Nc1ccccc1 ZINC000103014519 JG Annotated Mild C[C@@H](CC1C(=O)N(C)C(=O)N(C)C1=O)[C@H]1NCCc2c1n(C(=O)OC(C)(C)C)c1ccccc21 ZINC000103023221 JG Annotated Anodyne C[C@H](CC1C(=O)N(C)C(=O)N(C)C1=O)[C@H]1NCCc2c1n(C(=O)OC(C)(C)C)c1ccccc21 ZINC000103023224 JG Annotated Anodyne C[C@@H](CC1C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1NCCc2c1n(C(=O)OC(C)(C)C)c1ccccc21 ZINC000103023227 JG Annotated Anodyne C[C@H](CC1C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1NCCc2c1n(C(=O)OC(C)(C)C)c1ccccc21 ZINC000103023229 JG Annotated Anodyne Cc1cc(C(N)=O)ccc1C(=O)NC1C[C@@H]2CC[C@@H](C1)N2c1ccc(C(=O)NCc2ccccc2)cn1 ZINC000103025204 JG Annotated Anodyne Cc1cc(C(N)=O)ccc1C(=O)NC1C[C@H]2CC[C@H](C1)N2c1ccc(C(=O)NCc2ccccc2)cn1 ZINC000103025209 JG Annotated Anodyne CC(=O)c1ccc(N2[C@@H]3CC[C@@H]2CC(NC(=O)c2ccc(C(N)=O)c(NCC4CC4)c2)C3)nc1 ZINC000103026241 JG Annotated Anodyne CC(=O)c1ccc(N2[C@H]3CC[C@H]2CC(NC(=O)c2ccc(C(N)=O)c(NCC4CC4)c2)C3)nc1 ZINC000103026246 JG Annotated Anodyne CCCCCCCCCCCCCC(=O)NCCNC(=O)C(C)(C)C(=O)N1CC(=O)CC1=O ZINC000103026424 JG Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCC(F)(F)C(F)F)C(=O)[C@]12C ZINC000103026686 JG Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCC(F)(F)C(F)F)C(=O)[C@@]12C ZINC000103030262 JG Annotated Mild CCOC(=O)N1CCC(N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@@H]4C2=O)CC1 ZINC000103030477 JG Annotated Anodyne CCCSc1ccc([C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1OC ZINC000103042321 JG Annotated Anodyne N[C@@H]1CC[C@@H](Nc2c(C(=O)NCc3ccccn3)nc(Br)c3cccnc23)CC1 ZINC000103064372 JG Annotated Anodyne NC(=O)c1cc(N/N=C2\C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2N)ccc1Cl ZINC000103070034 JG Annotated Mild C=CCOc1cccc([C@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000103090706 JG Annotated Mild C=CCOc1cccc([C@@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000103090713 JG Annotated Mild CCOc1cc([C@@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1O ZINC000103091022 JG Annotated Mild CCOc1cc([C@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1O ZINC000103091028 JG Annotated Mild CCOC(=O)C(=CNc1ccc2c(c1)C(Nc1ccc(Cl)cc1)=NS2(=O)=O)C(=O)OCC ZINC000103096303 JG Annotated Anodyne CCOC(=O)[C@H]1S/C(=N\N=C2/c3ccccc3-c3nc4c(nc32)c(C)nn4-c2ccccc2)NC1=O ZINC000103096510 JG Annotated Mild CCOC(=O)[C@@H]1S/C(=N\N=C2/c3ccccc3-c3nc4c(nc32)c(C)nn4-c2ccccc2)NC1=O ZINC000103096513 JG Annotated Mild COC(=O)c1ccc([C@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000103097705 JG Annotated Mild COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000103097709 JG Annotated Mild C=C1C(=O)[C@@]23C(=O)OC[C@]4([C@@H](OC(C)=O)CCC(C)(C)[C@H]4C=O)[C@@H]2CC[C@H]1[C@H]3OC(=O)CCCC ZINC000103101100 JG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000103103001 JG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000103103004 JG Annotated Mild COc1ccccc1[C@@H]1/C(=C(/O)c2ccc(Cl)cc2)C(=O)C(=O)N1CCN1CCOCC1 ZINC000103109013 JG Annotated Mild COc1ccccc1[C@H]1/C(=C(/O)c2ccc(Cl)cc2)C(=O)C(=O)N1CCN1CCOCC1 ZINC000103109018 JG Annotated Mild COC(=O)c1c(C)nc(C)c2c1C(=O)C=C(Nc1ccc(I)cc1)C2=O ZINC000103126994 JG Annotated Mild CNc1cnc(-c2nc(=O)n(CC[C@@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103131339 JG Annotated Anodyne CNc1cnc(-c2nc(=O)n(CC[C@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000103131341 JG Annotated Anodyne Nc1nc([C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CO)cn2c(-c3ccc(-c4ccccc4)nc3)cnc12 ZINC000103145863 JG Annotated Anodyne CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1OC(=O)C1(C)CCCCC1)[C@H]1[C@@H](C[C@H]3C)C1(C)C ZINC000103148827 JG Annotated Anodyne C/C=C(/C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C)c1ccccc1 ZINC000103148871 JG Annotated Anodyne Cc1ccc2nc(Cl)c(/C=N/NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3C)cc2c1 ZINC000103163270 JG Annotated Reactive Cc1ccc2cc(/C=N/NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3C)c(Cl)nc2c1 ZINC000103163272 JG Annotated Reactive Cc1cccc2cc(/C=N/NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3C)c(Cl)nc12 ZINC000103163277 JG Annotated Reactive C=CCn1c(=O)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(OC)ccc21 ZINC000103163907 JG Annotated Reactive Cc1ccc(C)c(S(=O)(=O)NC2CCC3(CC2)NC(=O)N(CCOc2ccc(F)cc2)C3=O)c1 ZINC000103167279 JG Annotated Anodyne CCCNC(=S)NS(=O)(=O)c1ccc(N2N=C(c3ccc(Cl)cc3)CCC2=O)cc1 ZINC000103168327 JG Annotated Anodyne O=C1/C(=N\n2c(CCc3ccccc3)n[nH]c2=S)c2cc(Cl)ccc2N1CN1CCOCC1 ZINC000103169290 JG Annotated Mild CC[C@H](C)C(=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)C[C@H](O)[C@]4(C)[C@H]3C2)C1=O ZINC000103170185 JG Annotated Mild CCOC(=O)CNc1nc(Nc2ccc(C#N)cc2)nc(Oc2cc(=O)n(C)c3ccccc23)n1 ZINC000103172097 JG Annotated Mild CCC#CCOc1ccc(CCNC(=O)[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1OC ZINC000103176694 JG Annotated Mild CCC#CCOc1ccc(CCNC(=O)[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1OC ZINC000103176696 JG Annotated Mild Cc1cc(C)cc(S(=O)(=O)NC2CCC3(CC2)NC(=O)N(CCOc2ccc(F)cc2)C3=O)c1 ZINC000103182172 JG Annotated Anodyne COC(=O)C(C(=O)OC)C1=C(C(F)(F)F)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 ZINC000103184976 JG Annotated Reactive COC(=O)C(C(=O)OC)C1=C(C(F)(F)F)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 ZINC000103184978 JG Annotated Reactive Cn1nc(C(C)(C)C)c(I)c1C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000103185195 JG Annotated Anodyne O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=S)NC(=O)c1ccccc1 ZINC000103185316 JG Annotated Reactive CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(o/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 ZINC000103185507 JG Annotated Clean CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(o/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 ZINC000103185509 JG Annotated Clean COc1ccc(/C=c2\oc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000103186654 JG Annotated Anodyne COc1ccc(/C=c2\oc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000103186655 JG Annotated Anodyne CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(o/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N1 ZINC000103186663 JG Annotated Bother CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(o/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N1 ZINC000103186666 JG Annotated Bother CC1=N/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(/C(C)=N/N=C2/NC(=O)CS2)cc1 ZINC000103186881 JG Annotated Mild CC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(/C(C)=N/N=C2/NC(=O)CS2)cc1 ZINC000103186883 JG Annotated Mild O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3cc(Cl)ccc3oc2=O)C(=O)N1 ZINC000103187300 JG Annotated Clean Cc1ccc(S(=O)(=O)NC2CCC3(CC2)NC(=O)N(CCOc2ccc(F)cc2)C3=O)cc1C ZINC000103187784 JG Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2NC(=O)c2cc(OC)ccc2Br)c(OC)c1 ZINC000103191229 JG Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2NC(=O)c2cc(OC)ccc2Br)c(OC)c1 ZINC000103191230 JG Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000103191242 JG Annotated Bother COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000103191246 JG Annotated Bother COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2c2ccc(O)c(OC)c2)c1 ZINC000103191394 JG Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2c2ccc(O)c(OC)c2)c1 ZINC000103191396 JG Annotated Anodyne COc1ccc(C(=O)Nc2nc(C)c(C(=O)N/N=C3\SCC(=O)N3c3ccccc3)s2)cc1 ZINC000103194396 JG Annotated Reactive Cc1c2c(nn1CC(=O)NCc1cccc(Br)c1)-c1ccccc1S(=O)(=O)N2C ZINC000103195185 JG Annotated Anodyne Cc1c2c(nn1CC(=O)Nc1ccccc1Br)-c1ccccc1S(=O)(=O)N2C ZINC000103196597 JG Annotated Anodyne Cc1c2c(nn1CC(=O)Nc1cccc(Br)c1)-c1ccccc1S(=O)(=O)N2C ZINC000103196600 JG Annotated Anodyne Cc1c2c(nn1CC(=O)NCc1ccccc1Br)-c1ccccc1S(=O)(=O)N2C ZINC000103196740 JG Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@H]2SCC(=O)N2n2c(S)nnc2COc2ccccc2)cc1 ZINC000103199804 JG Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@@H]2SCC(=O)N2n2c(S)nnc2COc2ccccc2)cc1 ZINC000103199807 JG Annotated Anodyne CCCCOC(=O)CCCN1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000103200957 JG Annotated Anodyne CC[C@@H](C)OC(=O)CCCN1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000103200960 JG Annotated Anodyne CC[C@H](C)OC(=O)CCCN1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000103200962 JG Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CCCC(=O)OCC(C)C)CN1C ZINC000103200965 JG Annotated Anodyne O=C(O)CSCc1nc2c(c(=O)[nH]1)[C@@H]1[C@H](N3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000103201382 JG Annotated Anodyne O=C(O)CSCc1nc2c(c(=O)[nH]1)[C@H]1[C@H](N3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000103201384 JG Annotated Anodyne O=C(O)CSCc1nc2c(c(=O)[nH]1)[C@@H]1[C@@H](N3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000103201386 JG Annotated Anodyne O=C(O)CSCc1nc2c(c(=O)[nH]1)[C@H]1[C@@H](N3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000103201389 JG Annotated Anodyne Cc1ccc2occ([C@@H]3CC(C4C(=O)N(C)C(=O)N(C)C4=O)=NN3c3ccccc3)c(=O)c2c1 ZINC000103202763 JG Annotated Anodyne Cc1ccc2occ([C@H]3CC(C4C(=O)N(C)C(=O)N(C)C4=O)=NN3c3ccccc3)c(=O)c2c1 ZINC000103202765 JG Annotated Anodyne COc1ccc(/C=N/c2n[nH]c(Sc3nc4ccc(C)cc4n4c(N)nnc34)n2)cc1OC ZINC000103205751 JG Annotated Mild CCOC(=O)/C(C#N)=C(\N[C@@H](c1ccccc1)P(=O)(OCCOC)OCCOC)SC ZINC000103207721 JG Annotated Reactive CCOC(=O)/C(C#N)=C(\N[C@H](c1ccccc1)P(=O)(OCCOC)OCCOC)SC ZINC000103207724 JG Annotated Reactive CCOCCOP(=O)(OCCOCC)[C@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1 ZINC000103207948 JG Annotated Reactive CCOCCOP(=O)(OCCOCC)[C@@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1 ZINC000103207950 JG Annotated Reactive N#CC1=C(N)Oc2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2[C@H]1c1ccccc1Cl ZINC000103208013 JG Annotated Reactive N#CC1=C(N)Oc2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2[C@@H]1c1ccccc1Cl ZINC000103208015 JG Annotated Reactive Nc1ncnc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1sc(Nc3ccc(S(N)(=O)=O)cc3)nc1O2 ZINC000103209393 JG Annotated Bother Nc1ncnc2c1[C@H](c1ccc([N+](=O)[O-])cc1)c1sc(Nc3ccc(S(N)(=O)=O)cc3)nc1O2 ZINC000103209396 JG Annotated Bother CCOC(=O)[C@H](CC(C)C)N1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000103209441 JG Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)N1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000103209444 JG Annotated Anodyne C=CCNC(=O)c1c(CS(=O)(=O)c2ccc(Cl)cc2)noc1C(=O)NCc1ccccc1 ZINC000103209463 JG Annotated Mild CCCNC(=O)c1c(CS(=O)(=O)c2ccc(Cl)cc2)noc1C(=O)NCc1ccccc1 ZINC000103209465 JG Annotated Anodyne CCCCNC(=O)c1c(CS(=O)(=O)c2ccccc2)noc1C(=O)NCc1ccccc1 ZINC000103209469 JG Annotated Anodyne CC(C)NC(=O)c1c(CS(=O)(=O)c2ccc(Cl)cc2)noc1C(=O)NCc1ccccc1 ZINC000103209585 JG Annotated Anodyne Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)N/N=C/c4cc([N+](=O)[O-])ccc4O)c[nH]c3c12 ZINC000103210049 JG Annotated Reactive Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)N/N=C/c4cccc([N+](=O)[O-])c4O)c[nH]c3c12 ZINC000103210053 JG Annotated Reactive CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N(N=O)[C@H](c2ccc(C)cc2)[C@H](C(=O)OCC)S1(=O)=O ZINC000103210885 JG Annotated Anodyne O=C(CN1C(=O)C(=O)c2cc(Br)cc(Br)c21)Nc1ccc([N+](=O)[O-])cc1 ZINC000103211082 JG Annotated Bother CCCCNC(=O)c1onc(CS(=O)(=O)c2ccc(Cl)cc2)c1C(=O)NCCCC ZINC000103211348 JG Annotated Anodyne CCOCCOP(=O)(OCCOCC)[C@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1F ZINC000103217085 JG Annotated Reactive CCOCCOP(=O)(OCCOCC)[C@@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1F ZINC000103217087 JG Annotated Reactive COCCOP(=O)(OCCOC)[C@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1 ZINC000103217131 JG Annotated Reactive COCCOP(=O)(OCCOC)[C@@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1 ZINC000103217134 JG Annotated Reactive COc1ccc(/C=N/n2c(C(F)(F)F)nn(CN3CCN(c4nccc(C)n4)CC3)c2=S)cc1 ZINC000103217741 JG Annotated Mild CC(=O)N1CCN(c2nc(Nc3ccccc3)nc(Oc3cc(=O)oc4ccccc34)n2)CC1 ZINC000103219511 JG Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CCCC(=O)OC(C)(C)C)CN1C ZINC000103219679 JG Annotated Anodyne Fc1ccccc1/C=N/n1c(C(F)(F)F)nn(CN2CCN(c3ncccn3)CC2)c1=S ZINC000103220496 JG Annotated Mild Cc1ccnc(N2CCN(Cn3nc(C(F)(F)F)n(/N=C/c4ccccc4)c3=S)CC2)n1 ZINC000103220505 JG Annotated Mild Cc1ccnc(N2CCN(Cn3nc(C(F)(F)F)n(/N=C/c4ccccc4F)c3=S)CC2)n1 ZINC000103220510 JG Annotated Mild O=c1n(S(=O)(=O)c2ccc(Br)cc2)nc(Cc2ccccc2)n1Cc1ccco1 ZINC000103222458 JG Annotated Anodyne COCCOP(=O)(OCCOC)[C@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1F ZINC000103222781 JG Annotated Reactive COCCOP(=O)(OCCOC)[C@@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1F ZINC000103222786 JG Annotated Reactive C=CCOc1cccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000103225134 JG Annotated Mild C=CCOc1cccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000103225137 JG Annotated Mild CCC[C@H](OC(=O)CCCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225179 JG Annotated Anodyne CCC[C@@H](OC(=O)CCCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225180 JG Annotated Anodyne CCC[C@H](SC(=O)CCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225199 JG Annotated Anodyne CCC[C@@H](SC(=O)CCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225200 JG Annotated Anodyne CCC[C@H](OC(=O)CO/N=[N+](\[O-])N(CC)CC)C1=CC(=C(Br)Br)OC1=O ZINC000103225213 JG Annotated Clean CCC[C@@H](OC(=O)CO/N=[N+](\[O-])N(CC)CC)C1=CC(=C(Br)Br)OC1=O ZINC000103225215 JG Annotated Clean Cc1c(Nc2ccc(F)cc2C#N)ncnc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1CC1 ZINC000103232121 JG Annotated Mild Cc1c(Nc2ccc(C#N)cc2F)ncnc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1CC1 ZINC000103232123 JG Annotated Mild Cc1c(CC(=O)NCCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000103232550 JG Annotated Clean COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1OC ZINC000103233671 JG Annotated Anodyne O=C1C=C(NCCc2cc(Br)c(O)c(Br)c2)C(=O)c2cnccc21 ZINC000103234315 JG Annotated Mild O=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000103235930 JG Annotated Mild O=C1NC(=O)N(c2ccccc2)C(=O)[C@H]1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000103235932 JG Annotated Mild COCOc1ccccc1-c1cn(C[C@H]2CC3=C(C(=O)c4c(OC)cccc4C3=O)[C@@H](C)O2)nn1 ZINC000103236813 JG Annotated Mild CS(=O)(=O)c1ccc(-c2ccc(C3(Cc4nnn[nH]4)C4CC5CC3CC(C4)C5O)cc2)cc1 ZINC000103237617 JG Annotated Anodyne O=C(Nc1ccc(S(=O)(=O)c2cnn(C3CCOCC3)c2)cc1)[C@@H]1C[C@H]1c1cccnc1 ZINC000103241033 JG Annotated Anodyne O=C(O)c1ccc(NC(=O)[C@H](CC2CCCCC2)n2cnc(S(=O)(=O)C3CCC3)c2)nc1 ZINC000103241232 JG Annotated Anodyne Cn1nnnc1SCC(=O)N/N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000103241811 JG Annotated Reactive CCCCNc1ncc(-c2ccc(C(=O)NC3CCN(C)CC3)cn2)c(N[C@@H]2CC[C@@H](O)CC2)n1 ZINC000103242243 JG Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccc(F)cc2C(F)(F)F)C3=O)cn1 ZINC000103247247 JG Annotated Anodyne O=C(NCc1ccc(C2=NCCN2)cc1)c1ccc(-c2cc3ccc(C4=NCCN4)cc3[nH]2)cc1 ZINC000103258087 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3c(F)cccc3[C@@H]2N[C@]1(C)C(=O)Nc1cc(C)ccc1C(=O)OC ZINC000103259086 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(F)cc3[C@@H]2N[C@]1(C)C(=O)Nc1cc(C)ccc1C(=O)OC ZINC000103259088 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccc(OC)cc3[C@@H]2N[C@]1(C)C(=O)Nc1cc(C)ccc1C(=O)OC ZINC000103259093 JG Annotated Anodyne CC(=O)c1ccc(-c2nc3c(c(Nc4ccc(CC(=O)O)cc4)n2)S(=O)(=O)CCC3)cc1 ZINC000103259171 JG Annotated Anodyne CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](CNCc3cn(-c4ccc(F)cc4F)nn3)[C@@H]2CC1 ZINC000103259275 JG Annotated Anodyne CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](CNCc3cn(-c4ccccc4Cl)nn3)[C@@H]2CC1 ZINC000103259288 JG Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H](n1cnc3c(NCCO)ncnc31)O2 ZINC000103261078 JG Annotated Anodyne C[C@@H](CO)Nc1ncnc2c1ncn2[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)O1 ZINC000103261080 JG Annotated Anodyne C[C@H](CO)Nc1ncnc2c1ncn2[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)O1 ZINC000103261082 JG Annotated Anodyne Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(N)=O)CC2)c2ccc(Cl)cc21 ZINC000103263812 JG Annotated Anodyne Cn1cncc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(N)=O)CC2)c2ccc(Cl)cc21 ZINC000103263832 JG Annotated Anodyne CCOC1=C(/C(C)=N/OCC(=O)Nc2cccc(OC)c2)N(C)S(=O)(=O)c2ccccc21 ZINC000103264375 JG Annotated Mild CCOC1=C(/C(C)=N/OCC(=O)Nc2ccc(OC)cc2)N(C)S(=O)(=O)c2ccccc21 ZINC000103264378 JG Annotated Mild CCOC1=C(/C(C)=N/OCC(=O)Nc2c(F)cccc2F)N(C)S(=O)(=O)c2ccccc21 ZINC000103264390 JG Annotated Mild C/C(=N\OCC(=O)Nc1ccc(F)c(Cl)c1)C1=C(O)c2ccccc2S(=O)(=O)N1C ZINC000103265493 JG Annotated Mild CS(=O)(=O)n1c(COCCN2COc3ccccc3C2=O)cc2cc(C(F)(F)F)ccc21 ZINC000103266598 JG Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Cl)cc3)c(C(=O)C(=O)NNC(=S)N(C)C)[nH]c2c1 ZINC000103266724 JG Annotated Reactive COC(=O)CSCC(=O)N1N=C(C)C[C@@H]1c1cc(Br)cc(Br)c1O ZINC000103267764 JG Annotated Clean COc1c(C(C)(C)C)cc(-c2ccc(C)[nH]c2=O)c2ncc(C#CCCNS(C)(=O)=O)cc12 ZINC000103268723 JG Annotated Mild COc1c(C(C)(C)C)cc(-n2ccc(=O)[nH]c2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc12 ZINC000103268745 JG Annotated Anodyne COc1c(C(C)(C)C)cc(-n2ccc(=O)[nH]c2=O)c2ccc(-c3ccc(NS(C)(=O)=O)cc3)nc12 ZINC000103268749 JG Annotated Anodyne CC(=O)N(c1ccc(N2CCN(C)CC2)cc1)c1ncc2cc(C#N)c(=O)n(C3CCCC3)c2n1 ZINC000103269219 JG Annotated Mild Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 ZINC000103269457 JG Annotated Anodyne Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 ZINC000103269464 JG Annotated Anodyne CN1C[C@H](c2ncc[nH]2)[C@@](C#N)(C(=O)c2c[nH]c3ccccc23)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000103269822 JG Annotated Mild Cc1ccc2c(c1)[C@]1(C(=O)N2)N(C)C[C@H](c2ncc[nH]2)[C@@]1(C#N)C(=O)c1c[nH]c2ccccc12 ZINC000103269824 JG Annotated Mild COc1ccc2[nH]cc(C(=O)[C@]3(C#N)[C@@H](c4ncc[nH]4)CN(C)[C@]34C(=O)Nc3ccccc34)c2c1 ZINC000103269829 JG Annotated Mild COc1ccc2[nH]cc(C(=O)[C@]3(C#N)[C@@H](c4ncc[nH]4)CN(C)[C@]34C(=O)N(C)c3ccccc34)c2c1 ZINC000103269831 JG Annotated Mild COc1ccc2[nH]cc(C(=O)[C@]3(C#N)[C@@H](c4ncc[nH]4)CN(C)[C@]34C(=O)Nc3ccc(F)cc34)c2c1 ZINC000103269833 JG Annotated Mild CN1C(=O)[C@@]2(c3ccccc31)N(C)C[C@H](c1ncc[nH]1)[C@@]2(C#N)C(=O)c1c[nH]c2ccccc12 ZINC000103269844 JG Annotated Mild CN1C[C@H](c2ncc[nH]2)[C@@](C#N)(C(=O)c2c[nH]c3ccccc23)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000103269846 JG Annotated Mild COc1cc(Cc2nnc(Nc3ccc([N+](=O)[O-])cc3)s2)c(S(=O)(=O)N(C)C)cc1OC ZINC000103271919 JG Annotated Bother CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CCCC(=O)OCCCCCCO)CN1C ZINC000103273871 JG Annotated Anodyne O=P(O)(O)C(Nc1ncnc2sc(-c3ccc(C(F)(F)F)cc3)cc12)P(=O)(O)O ZINC000103276784 JG Annotated Anodyne COCCOC(=O)/C(C#N)=C(/C)NCc1ccc(OCc2cnc(Cl)s2)c(OC)c1 ZINC000103279305 JG Annotated Reactive CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 ZINC000103283467 JG Annotated Anodyne Cc1ncc([N+](=O)[O-])n1C/C(=N/NC(=O)c1ccc(N)cc1)c1ccc(Br)cc1 ZINC000103283917 JG Annotated Reactive Cc1ncc([N+](=O)[O-])n1C/C(=N/NC(=O)c1ccc(O)cc1)c1ccc(Br)cc1 ZINC000103283919 JG Annotated Reactive Cc1ncc([N+](=O)[O-])n1C/C(=N/NC(=O)c1ccccc1N)c1ccc(Br)cc1 ZINC000103283922 JG Annotated Reactive O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O ZINC000103284764 JG Annotated Bother O=C(NC(=S)Nc1cccc(Cl)c1)c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O ZINC000103286551 JG Annotated Bother O=C(NC(=S)Nc1cccc(O)c1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O ZINC000103286552 JG Annotated Bother O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O ZINC000103286631 JG Annotated Bother CC(C)Cc1ccc([C@@H](C)c2n[nH]c(=S)n2-c2ccc(C(=O)NNC(=O)CO[N+](=O)[O-])cc2)cc1 ZINC000103286787 JG Annotated Reactive CC(C)Cc1ccc([C@H](C)c2n[nH]c(=S)n2-c2ccc(C(=O)NNC(=O)CO[N+](=O)[O-])cc2)cc1 ZINC000103286790 JG Annotated Reactive O=C(NC(=S)Nc1ccc(O)cc1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O ZINC000103288267 JG Annotated Bother COc1ccccc1NC(=S)NC(=O)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O ZINC000103288269 JG Annotated Bother O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O ZINC000103288274 JG Annotated Bother CC(=O)CCn1nc(-c2cn3c4c(c(N5CCN(C)CC5)c(F)cc4c2=O)OC[C@H]3C)oc1=S ZINC000103289752 JG Annotated Anodyne CC(=O)CCn1nc(-c2cn3c4c(c(N5CCN(C)CC5)c(F)cc4c2=O)OC[C@@H]3C)oc1=S ZINC000103289754 JG Annotated Anodyne CO[C@H]1[C@@H]([C@@H]2CC(=O)N(Cc3ccccc3)C(=O)N2Cc2ccccc2O)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000103290786 JG Annotated Clean C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N/N=C/c4ccccc4Cl)cn1c23 ZINC000103290964 JG Annotated Reactive C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N/N=C/c4ccccc4Cl)cn1c23 ZINC000103290966 JG Annotated Reactive CO[C@H]1[C@@H]([C@@H]2CC(=O)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000103292169 JG Annotated Anodyne CO[C@H]1[C@@H]([C@@H]2CC(=O)N(c3cccc(C(C)=O)c3)C(=O)N2c2ccco2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000103292175 JG Annotated Anodyne CC(=O)OC/C=C(\COC(C)=O)[C@H](C[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@@]2(O)CO)OC(C)=O ZINC000103292492 JG Annotated Anodyne CC(=O)OC/C=C(\COC(C)=O)[C@@H](C[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@@]2(O)CO)OC(C)=O ZINC000103292494 JG Annotated Anodyne C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/C[C@@H](O)CC[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000103293646 JG Annotated Mild C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/C[C@H](O)CC[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000103293649 JG Annotated Mild CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1CC(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000103294069 JG Annotated Anodyne CO[C@H]1[C@@H]([C@@H]2CC(=O)N(c3cccc(C#N)c3)C(=O)N2Cc2ccccc2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000103294072 JG Annotated Mild CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1CC(=O)N(c2cccc(C#N)c2)C(=O)N1Cc1ccccc1 ZINC000103294076 JG Annotated Mild NC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1 ZINC000103294442 JG Annotated Clean Cc1cc(C)nc(NS(=O)(=O)c2ccc(-n3cc(C#N)c(=O)n(-c4ccccc4)c3=S)cc2)n1 ZINC000103294445 JG Annotated Mild C[C@@H]1C(CO)=C[C@@H]2/C=C/C[C@H](C)CCC[C@@H](O)/C=C/C(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]13 ZINC000103294929 JG Annotated Anodyne CCN(CC)C(=S)SC[C@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1SC(=S)N(CC)CC ZINC000103295156 JG Annotated Anodyne COC(=O)c1sc(Br)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000103298627 JG Annotated Anodyne COC(=O)c1sc(Br)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000103298629 JG Annotated Anodyne Cc1ccc([C@H]2C3=C(CCCC3=O)NC3=C2S(=O)(=O)CC3)cc1I ZINC000103303471 JG Annotated Mild O=C1CCCC2=C1[C@H](c1ccc(F)c(I)c1)C1=C(CCS1(=O)=O)N2 ZINC000103303623 JG Annotated Mild N=C1N=C(c2ccc(Cl)cc2)/C(=N/Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S1 ZINC000103429504 JG Annotated Mild CNC[C@H]1C=CN(C(=N)NC2CCCCC2)C[C@@]12[C@@H]1CC[C@@H](C)[C@]23C[C@H](O)C(C(=O)O)=C3C1 ZINC000103524818 JG Annotated Anodyne in-vitro biogenic CCCOc1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000103529105 JG Annotated Anodyne CCCOc1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000103529112 JG Annotated Anodyne CCOC(=O)N1CCC(/N=c2/c(N(CCc3ccccc3)Cc3ccccc3)c(O)c2=O)CC1 ZINC000103533221 JG Annotated Anodyne COc1c(O)c(Cc2cnc[c-]2CC=O)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO ZINC000103533297 JG Annotated Mild in-vitro biogenic COc1c(OCCCO)c(Cc2cnc[cH-]2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO ZINC000103533319 JG Annotated Anodyne in-vitro biogenic C[C@]12CC[C@@H]3[C@](C)(CCC[N+]3([O-])CC(=O)Nc3ccc(NC(=O)CCCC(=O)O)cc3)[C@@H]1O2 ZINC000103544427 JG Annotated Mild C=C(C)O[C@@H]1[C@@H]2C(=C)C[C@@]34C[C@H]5[C@H]6[C@@]7(C[C@@H](OC(=O)C(C)C)C[C@@]6(C)CN5[C@@H]7[C@]3(O)[C@H]2OC(C)=O)[C@@H]14 ZINC000103556098 JG Annotated Mild in-vitro biogenic C[C@H]1[C@H](O)CC[C@H]2C[C@H](CCCCCCC[C@](O)(CNC3(C)CCNCC3)CC(=O)O)C=CN21 ZINC000103573002 JG Annotated Anodyne in-vitro biogenic C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@@H]3N1[C@]3(O)[C@H]2[C@H]1C[C@@H]2C=C[C@@H]3CCC[C@@]34[C@@H](O)C[C@@H]2[C@@H]4N1 ZINC000103576420 JG Annotated Anodyne in-vitro biogenic C=C1[C@@H](O)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@H]12)C3(C)C ZINC000103586447 JG Annotated Mild in-vitro biogenic COc1ccc([C@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]23)cc1 ZINC000103600953 JG Annotated Anodyne COc1cc(C(=O)N(Cc2nc3nc(C)cc(O)n3n2)c2ccc(F)cc2)cc(OC)c1OC ZINC000103643667 JG Annotated Anodyne O=C(O)C1=C/C(=N\Nc2ccc(-c3ccc(N/N=C4/C=CC(=O)C(C(=O)O)=C4)cc3)cc2)C=CC1=O ZINC000103670326 JG Annotated Mild in-vitro O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCN(CC/N=c2\cc(O)oc3ccccc23)CC1 ZINC000103670864 JG Annotated Anodyne O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1CCN(CC/N=c2\cc(O)oc3ccccc23)CC1 ZINC000103670870 JG Annotated Anodyne Cc1cccc(NC(=O)CSCc2nc3n(Cc4ccc(F)cc4)[nH]nc-3c(=O)n2)c1C ZINC000103738403 JG Annotated Anodyne Cc1cc(C)cc(NC(=O)CSCc2nc3n(Cc4ccc(F)cc4)[nH]nc-3c(=O)n2)c1 ZINC000103738409 JG Annotated Anodyne O=C(c1ccco1)N1CCC(c2nc3n(Cc4c(Cl)cccc4Cl)[nH]nc-3c(=O)n2)CC1 ZINC000103743629 JG Annotated Anodyne Cc1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(S(=O)(=O)/C=C/c5ccccc5)CC4)nc2-3)cc1 ZINC000103743702 JG Annotated Anodyne O=C(c1cccs1)N1CCC(c2nc3n(Cc4cccc(Cl)c4)[nH]nc-3c(=O)n2)CC1 ZINC000103743711 JG Annotated Anodyne CC1=C/C(=C2/C=C(C(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCC4)NN2)C(=O)C(C)=C1 ZINC000103764594 JG Annotated Mild CCOc1cc([C@@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)ccc1O ZINC000103767826 JG Annotated Mild CCOc1cc([C@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)ccc1O ZINC000103767833 JG Annotated Mild CC(=O)N1N/C(=C2/C(=O)N=c3ccc(Br)cc3=C2c2ccccc2)C[C@H]1c1ccco1 ZINC000103767978 JG Annotated Anodyne CC(=O)N1N/C(=C2/C(=O)N=c3ccc(Br)cc3=C2c2ccccc2)C[C@@H]1c1ccco1 ZINC000103767986 JG Annotated Anodyne CC(C)(C)C1=C/C(=N\Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)C(Br)=C1 ZINC000103788096 JG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000103871412 JG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000103871415 JG Annotated Mild COC(=O)C[C@H]1[C@@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](O)[C@H]2[C@@](C)(C(=O)OC)C=CC(=O)[C@@]12C ZINC000103885843 JG Annotated Mild COC(=O)C[C@H]1[C@@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](O)[C@@H]2[C@@](C)(C(=O)OC)C=CC(=O)[C@]21C ZINC000103885847 JG Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1Br)C1=C(O)c3ccccc3C1=N2 ZINC000103890763 JG Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1Br)C1=C(O)c3ccccc3C1=N2 ZINC000103890767 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1 ZINC000103915721 JG Annotated Mild CN(C)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1 ZINC000103915726 JG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000103916837 JG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000103916840 JG Annotated Mild O=C(Cc1cccs1)N1CCC[C@H](c2nc3n(Cc4cccc(Cl)c4)[nH]nc-3c(=O)n2)C1 ZINC000103945927 JG Annotated Anodyne O=C(Cc1cccs1)N1CCC[C@@H](c2nc3n(Cc4cccc(Cl)c4)[nH]nc-3c(=O)n2)C1 ZINC000103945933 JG Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](CN3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)O[C@]23[C@@H]1CC[C@@]1(C)O[C@H]13 ZINC000103946917 JG Annotated Anodyne COc1ccccc1NC(=O)N1CCC[C@@H](c2nc3n(Cc4ccc(C)cc4)[nH]nc-3c(=O)n2)C1 ZINC000103950897 JG Annotated Anodyne COc1ccccc1NC(=O)N1CCC[C@H](c2nc3n(Cc4ccc(C)cc4)[nH]nc-3c(=O)n2)C1 ZINC000103950901 JG Annotated Anodyne N#Cc1cccc(NC(=O)N2CCC(c3nc4n(Cc5cccc(Cl)c5)[nH]nc-4c(=O)n3)CC2)c1 ZINC000103955117 JG Annotated Mild N#Cc1ccc(NC(=O)N2CCC(c3nc4n(Cc5cccc(Cl)c5)[nH]nc-4c(=O)n3)CC2)cc1 ZINC000103956232 JG Annotated Mild Cc1ccc(Cn2[nH]nc3c(=O)nc([C@@H]4CCCN(C(=O)Nc5ccc(F)cc5)C4)nc2-3)cc1 ZINC000103958129 JG Annotated Anodyne Cc1ccc(Cn2[nH]nc3c(=O)nc([C@H]4CCCN(C(=O)Nc5ccc(F)cc5)C4)nc2-3)cc1 ZINC000103958135 JG Annotated Anodyne O=C(Cc1cccs1)N1CCC[C@H](c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)C1 ZINC000103959675 JG Annotated Anodyne O=C(Cc1cccs1)N1CCC[C@@H](c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)C1 ZINC000103959681 JG Annotated Anodyne CC(C)(C)c1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(C(=O)c5ccco5)CC4)nc2-3)cc1 ZINC000103984148 JG Annotated Anodyne COc1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000103994971 JG Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000103994976 JG Annotated Mild COc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000103994984 JG Annotated Mild COc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000103994989 JG Annotated Mild COc1cccc([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000104005280 JG Annotated Mild COc1cccc([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000104005284 JG Annotated Mild COc1cccc([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000104005288 JG Annotated Mild COc1cccc([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000104005291 JG Annotated Mild CCOc1cccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000104005823 JG Annotated Mild CCOc1cccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000104005827 JG Annotated Mild COc1cc([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000104006718 JG Annotated Mild COc1cc([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000104006720 JG Annotated Mild COc1ccc([C@@H]2C[C@H](C(F)(F)F)N3NC(C(=O)N(C)Cc4cn(C)nc4C)=C(Cl)C3=N2)cc1 ZINC000104007454 JG Annotated Anodyne COc1ccc([C@H]2C[C@H](C(F)(F)F)N3NC(C(=O)N(C)Cc4cn(C)nc4C)=C(Cl)C3=N2)cc1 ZINC000104007457 JG Annotated Anodyne COc1ccc([C@@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)N(C)Cc4cn(C)nc4C)=C(Cl)C3=N2)cc1 ZINC000104007459 JG Annotated Anodyne COc1ccc([C@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)N(C)Cc4cn(C)nc4C)=C(Cl)C3=N2)cc1 ZINC000104007462 JG Annotated Anodyne Cc1nn(C)c(C)c1CN(C)C(=O)C1=CC2=N[C@H](c3cccs3)C[C@H](C(F)(F)F)N2N1 ZINC000104007509 JG Annotated Anodyne Cc1nn(C)c(C)c1CN(C)C(=O)C1=CC2=N[C@@H](c3cccs3)C[C@H](C(F)(F)F)N2N1 ZINC000104007512 JG Annotated Anodyne Cc1nn(C)c(C)c1CN(C)C(=O)C1=CC2=N[C@H](c3cccs3)C[C@@H](C(F)(F)F)N2N1 ZINC000104007514 JG Annotated Anodyne Cc1nn(C)c(C)c1CN(C)C(=O)C1=CC2=N[C@@H](c3cccs3)C[C@@H](C(F)(F)F)N2N1 ZINC000104007518 JG Annotated Anodyne COCCN1C(SCC(=O)Nc2ccc3c(c2)OCCO3)=NN/C1=C1/C=Nc2ccccc21 ZINC000104007812 JG Annotated Anodyne CCC(=O)Nc1ccc(C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C[C@@H]2CCCO2)cc1OC ZINC000104008588 JG Annotated Mild CCC(=O)Nc1ccc(C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C[C@H]2CCCO2)cc1OC ZINC000104008593 JG Annotated Mild CCC(=O)Nc1ccc(C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C[C@@H]2CCCO2)cc1 ZINC000104008598 JG Annotated Mild CCC(=O)Nc1ccc(C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C[C@H]2CCCO2)cc1 ZINC000104008603 JG Annotated Mild CCc1nnc(NC(=O)CSC2=NN/C(=C3/C=CC=CC3=O)N2c2ccc(C)cc2)s1 ZINC000104008711 JG Annotated Mild Cc1c(CNC(=O)C2=C(Cl)C3=N[C@H](c4ccccc4)C[C@H](C(F)(F)F)N3N2)cnn1C ZINC000104009778 JG Annotated Anodyne Cc1c(CNC(=O)C2=C(Cl)C3=N[C@@H](c4ccccc4)C[C@H](C(F)(F)F)N3N2)cnn1C ZINC000104009783 JG Annotated Anodyne Cc1c(CNC(=O)C2=C(Cl)C3=N[C@H](c4ccccc4)C[C@@H](C(F)(F)F)N3N2)cnn1C ZINC000104009787 JG Annotated Anodyne Cc1c(CNC(=O)C2=C(Cl)C3=N[C@@H](c4ccccc4)C[C@@H](C(F)(F)F)N3N2)cnn1C ZINC000104009792 JG Annotated Anodyne COc1ccc([C@@H]2C[C@H](C(F)(F)F)N3NC(C(=O)NCc4c(C)nn(C)c4C)=C(Cl)C3=N2)cc1 ZINC000104009836 JG Annotated Anodyne COc1ccc([C@H]2C[C@H](C(F)(F)F)N3NC(C(=O)NCc4c(C)nn(C)c4C)=C(Cl)C3=N2)cc1 ZINC000104009841 JG Annotated Anodyne COc1ccc([C@@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)NCc4c(C)nn(C)c4C)=C(Cl)C3=N2)cc1 ZINC000104009847 JG Annotated Anodyne COc1ccc([C@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)NCc4c(C)nn(C)c4C)=C(Cl)C3=N2)cc1 ZINC000104009852 JG Annotated Anodyne O=C(C1=CNN2C1=N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCN2CCC[C@H]2C1 ZINC000104009863 JG Annotated Anodyne Cc1nn(C)cc1CNC(=O)C1=CNN2C1=N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000104009873 JG Annotated Anodyne Cc1nn(C)cc1CNC(=O)C1=CNN2C1=N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000104009880 JG Annotated Anodyne Cc1nn(C)cc1CNC(=O)C1=CNN2C1=N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000104009886 JG Annotated Anodyne Cc1nn(C)cc1CNC(=O)C1=CNN2C1=N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000104009890 JG Annotated Anodyne Cc1nn(C)c(C)c1CNC(=O)C1=C(Cl)C2=N[C@H](c3cccs3)C[C@H](C(F)(F)F)N2N1 ZINC000104009897 JG Annotated Anodyne Cc1nn(C)c(C)c1CNC(=O)C1=C(Cl)C2=N[C@@H](c3cccs3)C[C@H](C(F)(F)F)N2N1 ZINC000104009902 JG Annotated Anodyne Cc1nn(C)c(C)c1CNC(=O)C1=C(Cl)C2=N[C@H](c3cccs3)C[C@@H](C(F)(F)F)N2N1 ZINC000104009909 JG Annotated Anodyne Cc1nn(C)c(C)c1CNC(=O)C1=C(Cl)C2=N[C@@H](c3cccs3)C[C@@H](C(F)(F)F)N2N1 ZINC000104009912 JG Annotated Anodyne Cc1nn(C)cc1CN(C)C(=O)C1=C(Cl)C2=N[C@H](c3cccs3)C[C@H](C(F)(F)F)N2N1 ZINC000104009942 JG Annotated Anodyne Cc1nn(C)cc1CN(C)C(=O)C1=C(Cl)C2=N[C@@H](c3cccs3)C[C@H](C(F)(F)F)N2N1 ZINC000104009948 JG Annotated Anodyne Cc1nn(C)cc1CN(C)C(=O)C1=C(Cl)C2=N[C@H](c3cccs3)C[C@@H](C(F)(F)F)N2N1 ZINC000104009953 JG Annotated Anodyne Cc1nn(C)cc1CN(C)C(=O)C1=C(Cl)C2=N[C@@H](c3cccs3)C[C@@H](C(F)(F)F)N2N1 ZINC000104009958 JG Annotated Anodyne COc1ccc([C@@H]2C[C@H](C(F)(F)F)N3NC(C(=O)NCc4cn(C)nc4C)=C(Cl)C3=N2)cc1 ZINC000104009965 JG Annotated Anodyne COc1ccc([C@H]2C[C@H](C(F)(F)F)N3NC(C(=O)NCc4cn(C)nc4C)=C(Cl)C3=N2)cc1 ZINC000104009974 JG Annotated Anodyne COc1ccc([C@@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)NCc4cn(C)nc4C)=C(Cl)C3=N2)cc1 ZINC000104009980 JG Annotated Anodyne COc1ccc([C@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)NCc4cn(C)nc4C)=C(Cl)C3=N2)cc1 ZINC000104009984 JG Annotated Anodyne Cc1ccc(N2NC(=O)/C(=C\c3c(C)c(C#N)c4[nH]c5ccccc5n4c3=O)C2=O)cc1Cl ZINC000104011282 JG Annotated Mild C[C@H](O)c1cc2c(cc1NC(=O)C1=CNN3C1=N[C@H](c1ccco1)C[C@@H]3C(F)(F)F)OCO2 ZINC000104013002 JG Annotated Anodyne C[C@H](O)c1cc2c(cc1NC(=O)C1=CNN3C1=N[C@@H](c1ccco1)C[C@@H]3C(F)(F)F)OCO2 ZINC000104013015 JG Annotated Anodyne Cc1c(CNC(=O)C2=CNN3C2=N[C@H](c2ccc(Br)cc2)C[C@@H]3C(F)(F)F)cnn1C ZINC000104013760 JG Annotated Anodyne Cc1c(CNC(=O)C2=CNN3C2=N[C@@H](c2ccc(Br)cc2)C[C@@H]3C(F)(F)F)cnn1C ZINC000104013765 JG Annotated Anodyne Cc1c(CNC(=O)C2=CNN3C2=N[C@H](c2ccc(Br)cc2)C[C@H]3C(F)(F)F)cnn1C ZINC000104013771 JG Annotated Anodyne Cc1c(CNC(=O)C2=CNN3C2=N[C@@H](c2ccc(Br)cc2)C[C@H]3C(F)(F)F)cnn1C ZINC000104013777 JG Annotated Anodyne C=CCN1C(SCC(=O)NCc2ccccc2)=NN/C1=C1/C=C(Br)C=CC1=O ZINC000104013999 JG Annotated Mild CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cnn(-c3ccccc3)c2C)[C@H]1c1cccnc1 ZINC000104014137 JG Annotated Mild CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cnn(-c3ccccc3)c2C)[C@@H]1c1cccnc1 ZINC000104014141 JG Annotated Mild CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN(CC)CC)[C@@H]2c2cccnc2)c1C ZINC000104014283 JG Annotated Mild CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN(CC)CC)[C@H]2c2cccnc2)c1C ZINC000104014288 JG Annotated Mild COc1ccc(OC)c([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000104014506 JG Annotated Mild COc1ccc(OC)c([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000104014509 JG Annotated Mild COc1ccc(OC)c([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000104014513 JG Annotated Mild COc1ccc(OC)c([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000104014518 JG Annotated Mild COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(C)cc1 ZINC000104015056 JG Annotated Mild COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(C)cc1 ZINC000104015060 JG Annotated Mild CC1=CC(=O)/C(=C2\C=C(C(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCC4)NN2)C=C1 ZINC000104020028 JG Annotated Mild COc1cc([C@@H]2C3=C(NN/C3=C3\C=C(Cl)C(C)=CC3=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000104027898 JG Annotated Mild COc1cc([C@H]2C3=C(NN/C3=C3\C=C(Cl)C(C)=CC3=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000104027903 JG Annotated Mild COc1ccc([C@@H]2C3=C(NN/C3=C3\C=CC=CC3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000104027975 JG Annotated Mild COc1ccc([C@H]2C3=C(NN/C3=C3\C=CC=CC3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000104027979 JG Annotated Mild C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000104028451 JG Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000104028456 JG Annotated Mild C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000104028462 JG Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000104028467 JG Annotated Mild COc1cc([C@H]2/C(=C(/O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000104028771 JG Annotated Mild COc1cc([C@@H]2/C(=C(/O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000104028775 JG Annotated Mild COC(=O)c1ccc([C@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000104030232 JG Annotated Mild COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000104030236 JG Annotated Mild COc1ccc(Br)cc1[C@@H]1C2=C(O)c3ccccc3C2=Nc2c1c(=O)[nH]c(=O)n2C ZINC000104041543 JG Annotated Anodyne COc1ccc(Br)cc1[C@H]1C2=C(O)c3ccccc3C2=Nc2c1c(=O)[nH]c(=O)n2C ZINC000104041550 JG Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N/C(=O)c1ccc(C)cc1 ZINC000104110605 JG Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N/C(=O)c1cccc(C)c1 ZINC000104110631 JG Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1cccc(F)c1 ZINC000104110694 JG Annotated Bother O=C(c1ccco1)N1CCC[C@H](c2nc3n(Cc4ccc(Cl)cc4Cl)[nH]nc-3c(=O)n2)C1 ZINC000104179384 JG Annotated Anodyne O=C(c1ccco1)N1CCC[C@@H](c2nc3n(Cc4ccc(Cl)cc4Cl)[nH]nc-3c(=O)n2)C1 ZINC000104179387 JG Annotated Anodyne O=C(c1ccco1)N1CCC[C@H](c2nc3n(Cc4c(Cl)cccc4Cl)[nH]nc-3c(=O)n2)C1 ZINC000104179392 JG Annotated Anodyne O=C(c1ccco1)N1CCC[C@@H](c2nc3n(Cc4c(Cl)cccc4Cl)[nH]nc-3c(=O)n2)C1 ZINC000104179395 JG Annotated Anodyne O=C(c1cccs1)N1CCC[C@H](c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)C1 ZINC000104179408 JG Annotated Anodyne O=C(c1cccs1)N1CCC[C@@H](c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)C1 ZINC000104179410 JG Annotated Anodyne CC(C)(C)c1ccc(Cn2[nH]nc3c(=O)nc([C@@H]4CCCN(C(=O)c5ccco5)C4)nc2-3)cc1 ZINC000104179484 JG Annotated Anodyne CC(C)(C)c1ccc(Cn2[nH]nc3c(=O)nc([C@H]4CCCN(C(=O)c5ccco5)C4)nc2-3)cc1 ZINC000104179488 JG Annotated Anodyne O=C(c1cccs1)N1CCC[C@H](c2nc3n(Cc4cccc(Cl)c4)[nH]nc-3c(=O)n2)C1 ZINC000104179583 JG Annotated Anodyne O=C(c1cccs1)N1CCC[C@@H](c2nc3n(Cc4cccc(Cl)c4)[nH]nc-3c(=O)n2)C1 ZINC000104179588 JG Annotated Anodyne C1=N\CCNCCNCC/N=C\c2ccccc2OCc2cccc(n2)COc2ccccc2/1 ZINC000104182736 JG Annotated Anodyne C1=N\CCNCCNCC/N=C/c2ccccc2OCc2cccc(n2)COc2ccccc2/1 ZINC000104182741 JG Annotated Anodyne O=C(c1ccc(Cl)cc1Cl)N1CCC(c2nc3n(Cc4ccco4)[nH]nc-3c(=O)n2)CC1 ZINC000104191950 JG Annotated Anodyne COc1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(C(=O)c5ccccc5Cl)CC4)nc2-3)cc1 ZINC000104206387 JG Annotated Anodyne Brc1ccc2c(c1)=C(c1ccc(N3CCOCC3)cc1)NN=C(c1cccs1)N=2 ZINC000104229697 JG Annotated Clean C1=N\CCNCCNCC/N=C/c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 ZINC000104253876 JG Annotated Anodyne C1=N/CCNCCNCC/N=C/c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 ZINC000104253883 JG Annotated Anodyne CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000104334030 JG Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000104334033 JG Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C ZINC000104334036 JG Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C ZINC000104334039 JG Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cc3ccccc3cc2C1=O ZINC000104353792 JG Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cc3ccccc3cc2C1=O ZINC000104353796 JG Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C ZINC000104357072 JG Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C ZINC000104357078 JG Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C ZINC000104357080 JG Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C ZINC000104357087 JG Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000104363801 JG Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000104363806 JG Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000104363812 JG Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000104363817 JG Annotated Mild CC1=C(C)[C@H]2[C@@H](Cc3ccccc3)NC(=O)[C@]23[C@H](O)/C=C\[C@@](C)(O)C[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000104367304 JG Annotated Anodyne in-man CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C ZINC000104369923 JG Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C ZINC000104369927 JG Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C ZINC000104369930 JG Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C ZINC000104369933 JG Annotated Mild O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)c1ccc2c(c1)OCO2 ZINC000104387580 JG Annotated Mild O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)c1ccc2c(c1)OCO2 ZINC000104387585 JG Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)Cc2ccccc2OC)C1 ZINC000104543354 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)Cc2ccccc2OC)C1 ZINC000104543361 JG Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OC ZINC000104559570 JG Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OC ZINC000104559574 JG Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OC ZINC000104559579 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OC ZINC000104559584 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615196 JG Annotated Mild COc1cccc(CO[C@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615201 JG Annotated Mild COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615202 JG Annotated Mild COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615205 JG Annotated Mild COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)N(C(=O)c3cnccn3)C2)c1 ZINC000104630084 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)N(C(=O)c3cnccn3)C2)c1 ZINC000104630090 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCCSC)N(C(=O)c3cccnc3SC)C2)c1 ZINC000104645947 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCCSC)N(C(=O)c3cccnc3SC)C2)c1 ZINC000104645952 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCCSC)N(C(=O)c3cccnc3SC)C2)c1 ZINC000104645955 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCCSC)N(C(=O)c3cccnc3SC)C2)c1 ZINC000104645959 JG Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2c[nH]c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3c2=O)C1 ZINC000104798873 JG Annotated Anodyne CCN1CCN(/C=C2\N=C3CN=C(c4ccccc4Cl)c4cc([N+](=O)[O-])ccc4N3C2=O)CC1 ZINC000104953221 JG Annotated Bother C/C1=C/[C@@H](O)C(=O)/C=C\C=C/c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)SSC(=O)[C@]2(C)O ZINC000104954106 JG Annotated Reactive C/C1=C/[C@@H](O)C(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)SSC(=O)[C@]2(C)O ZINC000104954113 JG Annotated Reactive CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105175698 JG Annotated Bother CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105175701 JG Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000105184528 JG Annotated Mild CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000105184536 JG Annotated Mild COCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000105236927 JG Annotated Anodyne O=C(O)C1=C(O)[C@@H](C(=O)O)[C@]23CCCCCCCCCC[C@@]12[C@@H](C(=O)O)C(O)=C3C(=O)O ZINC000105482904 JG Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@H]2C)OCO4)cc(OC)c1OC(C)=O ZINC000105524117 JG Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@@H]2C)OCO4)cc(OC)c1OC(C)=O ZINC000105524120 JG Annotated Anodyne O=C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O)NC1=C(O)CCC1=O ZINC000105559921 JG Annotated Mild CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](O)/C=C/[C@](C)(O)C[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000105566994 JG Annotated Anodyne C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23[C@H](O)/C=C/[C@@](C)(O)C1 ZINC000105567009 JG Annotated Anodyne CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000107018575 JG Annotated Clean C[C@H]1C/C=C\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)O/C=C/[C@@](C)(O)C1=O ZINC000109861960 JG Annotated Anodyne COc1cc([C@H]2[C@H](C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000110690792 JG Annotated Anodyne COc1cc([C@@H]2[C@H](C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000110690796 JG Annotated Anodyne COC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(C)o3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000110751958 JG Annotated Anodyne COC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(C)o3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000110751961 JG Annotated Anodyne COC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(C)o3)[C@H]2c2ccc(F)cc2)nc1C ZINC000110751964 JG Annotated Anodyne COC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(C)o3)[C@H]2c2ccc(F)cc2)nc1C ZINC000110751968 JG Annotated Anodyne COC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(C)o3)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000110813289 JG Annotated Anodyne COC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(C)o3)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000110813294 JG Annotated Anodyne COc1cccc([C@@H]2[C@H](C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000110930560 JG Annotated Anodyne COc1cccc([C@H]2[C@H](C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000110930564 JG Annotated Anodyne COc1cccc([C@@H]2[C@@H](C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000110930568 JG Annotated Anodyne COc1cccc([C@H]2[C@@H](C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000110930572 JG Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ncc(F)cc5F)cc4=O)nc31)CN1CCC[C@@H]1C2 ZINC000113109799 JG Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ncc(F)cc5F)cc4=O)nc31)CN1CCC[C@H]1C2 ZINC000113109802 JG Annotated Anodyne Cn1ccc2cc(-c3cc(C(N)=O)c4[nH]c5cc(C(=O)N6CCOCC6)ccc5c4n3)ccc21 ZINC000113203332 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCOCC5)ccc4c3c2)cc1 ZINC000113208902 JG Annotated Anodyne Cc1cc(C)n2nc(CSc3nc(-c4ccccc4)cn3CCN3CCN(C)C3=O)nc2n1 ZINC000113419937 JG Annotated Anodyne CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(C)c2)nc1N[C@@H]1CC[C@@](C)(O)CC1 ZINC000113478319 JG Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4C[C@@H]5CC[C@H](C4)N5)cn3)nc2n1C1CCCC1 ZINC000113524589 JG Annotated Anodyne CC1(C)C(=O)N(C2[C@@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)C[C@@H]1COc1ccc(-n2ccnc2)cc1 ZINC000113590613 JG Annotated Anodyne CC1(C)C(=O)N(C2[C@@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)C[C@H]1COc1ccc(-n2ccnc2)cc1 ZINC000113590615 JG Annotated Anodyne COc1cc(Br)cnc1C(=O)Nc1cc([C@]2(C(F)F)COCC(N)=N2)c(F)cc1F ZINC000113660602 JG Annotated Anodyne COc1cc(Br)cnc1C(=O)Nc1cc([C@@]2(C(F)F)COCC(N)=N2)c(F)cc1F ZINC000113660603 JG Annotated Anodyne CC(C)Oc1cccc2c1C(=O)N(CCc1nc3ncccc3c(=O)n1-c1ccc3cn[nH]c3c1)C2=O ZINC000113767348 JG Annotated Anodyne COc1ccc(-n2c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc3ncccc3c2=O)cc1 ZINC000113770405 JG Annotated Anodyne COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(CO)s2)cc1OC ZINC000113815877 JG Annotated Anodyne CC(C)CN(Cc1cc(F)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2ccccc2)CCN1 ZINC000114100294 JG Annotated Anodyne CC(C)CN(Cc1cc(F)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2ccccc2)CCN1 ZINC000114100296 JG Annotated Anodyne COc1ncc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2n1 ZINC000114155863 JG Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccc(C(F)(F)F)cn3)n[nH]c2C1(C)C ZINC000114180851 JG Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cc(C(C)(C)C)nn3C)n[nH]c2C1(C)C ZINC000114180873 JG Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3c(F)ccc(F)c3F)n[nH]c2C1(C)C ZINC000114182032 JG Annotated Anodyne Cc1cc(C)nc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)c1 ZINC000114183045 JG Annotated Anodyne Cc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C4CCOCC4)C[C@@H]2C)C3(C)C)nc1 ZINC000114183350 JG Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccc(Cl)cn3)n[nH]c2C1(C)C ZINC000114184033 JG Annotated Anodyne Cc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)ccc1F ZINC000114191006 JG Annotated Anodyne COc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)cc1 ZINC000114191234 JG Annotated Anodyne CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccnc(N(C)C)c2)c1 ZINC000114346260 JG Annotated Anodyne CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccnc(N(C)C)c2)c1 ZINC000114346262 JG Annotated Anodyne NC(=O)c1cc(OCCCN2CC[C@@H](O)C2)cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12 ZINC000114346493 JG Annotated Anodyne NC(=O)c1cc(OCCCN2CC[C@H](O)C2)cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12 ZINC000114346495 JG Annotated Anodyne NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(C(F)(F)F)[nH]n4)c3)ncnc12 ZINC000114348625 JG Annotated Anodyne CNc1ncc(-c2ccc([C@](C)(c3noc(-c4cnn(CC(=O)N(C)C)c4)n3)C3CC3)cc2)cn1 ZINC000114355768 JG Annotated Anodyne CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4ccc(N)nc4)cc3)C3CC3)no2)cn1 ZINC000114358808 JG Annotated Anodyne CS(=O)(=O)c1ccc(Oc2ccc(-c3cccc(CNCCN4CCNC4=O)n3)cc2)cc1 ZINC000114592889 JG Annotated Anodyne OC[C@H](O)c1cc(NCCN2CCOCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 ZINC000114627492 JG Annotated Anodyne CC(C)OC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(F)cn1 ZINC000114684031 JG Annotated Anodyne CC(C)OC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccccn1 ZINC000114684702 JG Annotated Anodyne CCOC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(Cl)cn1 ZINC000114684793 JG Annotated Anodyne O=c1c(NC[C@@H](O)CO)nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2C1CCCCCCC1 ZINC000114708799 JG Annotated Anodyne O=C(NCc1nn[nH]n1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114709612 JG Annotated Anodyne O=c1c(N2C[C@@H]3CNC[C@@H]3C2)nc2ncccc2n1C1CCN(C2CCCCCCC2)CC1 ZINC000114710315 JG Annotated Anodyne O=c1c(N2C[C@H]3CNC[C@@H]3C2)nc2ncccc2n1C1CCN(C2CCCCCCC2)CC1 ZINC000114710317 JG Annotated Anodyne O=c1c(N2C[C@@H]3CNC[C@H]3C2)nc2ncccc2n1C1CCN(C2CCCCCCC2)CC1 ZINC000114710318 JG Annotated Anodyne Cc1nn(C2CCOCC2)c2sc(C(=O)Nc3ccc(N4CCN(C)CC4=O)cc3)cc12 ZINC000114711445 JG Annotated Anodyne CC(=O)N1CCN(CC2CCC(NC(=O)c3cc4c(C)nn(C5CCOCC5)c4s3)CC2)CC1 ZINC000114711610 JG Annotated Anodyne O=C(O)CNC(=O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114713104 JG Annotated Anodyne Cc1nn(C2CCOCC2)c2sc(C(=O)Nc3ccc(N4C(=O)CN(C)C4=O)cc3)cc12 ZINC000114714043 JG Annotated Anodyne O=c1c(NC[C@H](O)CO)nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2C1CCCCCCC1 ZINC000114765007 JG Annotated Anodyne O=c1c(NC[C@@H](O)CO)nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2C1CCCCCCC1 ZINC000114765009 JG Annotated Anodyne O=C(O)C1CCN(C(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CC1 ZINC000114870656 JG Annotated Anodyne O=C(O)C1CCN(C(=O)c2cnn3ccc(N4CCC[C@H]4c4cc(F)ccc4F)nc23)CC1 ZINC000114870658 JG Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(F)cc3)CCC1)N(N)CC2 ZINC000114980318 JG Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(F)cc3)CCC1)N(N)CC2 ZINC000114980319 JG Annotated Anodyne NCCNS(=O)(=O)CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114980436 JG Annotated Anodyne NCCNS(=O)(=O)CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114980440 JG Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)[C@@H]1CCNC1 ZINC000114980926 JG Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)[C@@H]1CCNC1 ZINC000114980928 JG Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)[C@H]1CCNC1 ZINC000114980931 JG Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)[C@H]1CCNC1 ZINC000114980932 JG Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ncn[nH]1 ZINC000114981913 JG Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ncn[nH]1 ZINC000114981916 JG Annotated Anodyne Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CC2)NCC3)cn1 ZINC000114983013 JG Annotated Anodyne Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CC2)NCC3)cn1 ZINC000114983017 JG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(NCCc4ccccn4)n[nH]c2-3)C(=O)O1 ZINC000011524578 JG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(NCCc4ccc(O)cc4)n[nH]c2-3)C(=O)O1 ZINC000011524582 JG Annotated Anodyne O=C(/C=C/c1ccc(O)cc1)NC[C@H]1CN(c2ccc(C3CCS(=O)CC3)c(F)c2)C(=O)O1 ZINC000011524768 JG Annotated Anodyne CC(C)Cc1nc2cc(NS(=O)(=O)N(C)C)cc(C(=O)N3CCc4sccc4C3)c2n1C ZINC000011786509 JG Annotated Anodyne COc1ccc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccccn2)[C@@H]3OC)c(O)c1 ZINC000011840037 JG Annotated Anodyne Cc1nc(C)c(CC(=O)N2CCOc3ccc(CN4CCN(c5ccccn5)CC4)cc3C2)s1 ZINC000011963607 JG Annotated Anodyne CCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1csc(-c3cccs3)n1)C2 ZINC000011969139 JG Annotated Anodyne COC(=O)C1CCN(Cc2ccc3c(c2)CN(C(=O)c2cc(-c4ccc(C)o4)n[nH]2)CCO3)CC1 ZINC000011970901 JG Annotated Anodyne O=C(Cn1nc2ccccc2n1)N1CCOc2ccc(CN3CCc4sccc4C3)cc2C1 ZINC000011979899 JG Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N[C@@H](C)c1ccco1)CCN(C(=O)c1ccccc1SC)CC2 ZINC000011980131 JG Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N[C@H](C)c1ccco1)CCN(C(=O)c1ccccc1SC)CC2 ZINC000011980142 JG Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N[C@@H](C)c1ccco1)CCN(C(=O)c1cc(C)cc(C)c1)CC2 ZINC000011980181 JG Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N[C@H](C)c1ccco1)CCN(C(=O)c1cc(C)cc(C)c1)CC2 ZINC000011980186 JG Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N[C@@H](C)c1ccco1)CCN(C(=O)c1cccc(C)c1C)CC2 ZINC000011980997 JG Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N[C@H](C)c1ccco1)CCN(C(=O)c1cccc(C)c1C)CC2 ZINC000011981005 JG Annotated Anodyne COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N(C)CCc4ccccn4)c3C)nc1-2 ZINC000011996092 JG Annotated Anodyne Cn1c2c(c3ccc(-n4ncc(OCc5ccc(C(F)(F)F)nc5)cc4=O)cc31)CCNCC2 ZINC000115011469 JG Annotated Anodyne COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3ccc(F)c(NCC(CO)CO)n3)c(Cl)cn2)CC1 ZINC000115457964 JG Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCC(N5CCCC5)CC4)cc3)nc(N[C@@H]3CCOC3)c2c1=O ZINC000115624229 JG Annotated Anodyne CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](CO)C4)n3)cc2C)CC1 ZINC000115624561 JG Annotated Anodyne Cn1cnc2cc(-c3ccc(C4CCNCC4)cc3)nc(NCCCOC(=O)C(F)(F)F)c2c1=O ZINC000115626698 JG Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(-c3ccc(N4CCOCC4)cc3)c2c1=O ZINC000115627164 JG Annotated Anodyne CC(C)c1cc(-c2nn(COC(=O)[C@H](N)C(C)C)c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000115809821 JG Annotated Anodyne CC(C)c1cc(-c2nn(COC(=O)[C@@H](N)C(C)C)c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000115809824 JG Annotated Anodyne CCOC(=O)c1cc2cc(-c3cc(C(=O)NCc4ccc(CC(=O)OC)cc4)nn3C)ccc2[nH]1 ZINC000115831519 JG Annotated Anodyne Cc1cn(-c2nc(Nc3cc(C)c(OCCO)c(C)c3)ncc2F)cc1CN1CC[C@@H](O)C1 ZINC000115869366 JG Annotated Anodyne in-vitro COc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)nc(N2CCCC2)n1 ZINC000115983942 JG Annotated Anodyne COc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)nc(N2CCCC2)n1 ZINC000115983944 JG Annotated Anodyne COc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)nc(N2CCCC2)n1 ZINC000115983946 JG Annotated Anodyne COc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@H]2c2ccccc2)C3(C)C)nc(N2CCCC2)n1 ZINC000115983948 JG Annotated Anodyne CN(C)c1nc(Cl)nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 ZINC000115986597 JG Annotated Anodyne CN(C)c1nc(Cl)nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000115986607 JG Annotated Anodyne CN(C)c1nc(Cl)nc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000115986609 JG Annotated Anodyne CN(C)c1nc(Cl)nc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@H]2c2ccccc2)C3(C)C)n1 ZINC000115986612 JG Annotated Anodyne COc1nc(Cl)nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000115988674 JG Annotated Anodyne COc1nc(Cl)nc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000115988677 JG Annotated Anodyne COc1nc(Cl)nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 ZINC000115988680 JG Annotated Anodyne COc1nc(Cl)nc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@H]2c2ccccc2)C3(C)C)n1 ZINC000115988682 JG Annotated Anodyne CC(C)[C@H]1CN(C2CCNCC2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116179130 JG Annotated Anodyne CC(C)[C@H]1CN(C[C@H]2CCCN2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116179766 JG Annotated Anodyne CCn1cccc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)c(F)c4)c3n2)c1=O ZINC000116185740 JG Annotated Anodyne CCN1CC(N2C[C@H](C(C)C)N(c3ccn4ncc(-c5ccc(-c6nc[nH]n6)c(F)c5)c4n3)C2=O)C1 ZINC000116186197 JG Annotated Anodyne CCN1CC(N2C[C@@H](C(C)C)N(c3ccn4ncc(-c5ccc(-c6nc[nH]n6)c(F)c5)c4n3)C2=O)C1 ZINC000116186201 JG Annotated Anodyne CC(C)[C@H]1CN(C[C@H]2CCCN2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116186226 JG Annotated Anodyne Nc1nnc(-c2ccc(-c3cnn4ccc(N5C(=O)OC[C@@H]5c5ccc(F)cn5)nc34)cc2F)o1 ZINC000116187074 JG Annotated Anodyne Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc(-c3cc(C(=O)NC[C@@H](O)CO)c[nH]3)c2)c1 ZINC000116235548 JG Annotated Anodyne Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc(-c3cc(C(=O)NC[C@H](O)CO)c[nH]3)c2)c1 ZINC000116235551 JG Annotated Anodyne CCCc1cnc(N2CCC(Oc3ccn(-c4ccc(-n5cncn5)cc4)c(=O)c3)CC2)nc1 ZINC000116693121 JG Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN([C@@H]2CC[C@H](O)CC2)C(=O)C1 ZINC000116801233 JG Annotated Anodyne Cc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N(C)C)ccn3)CC2)ccc1Cl ZINC000116817273 JG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccnc4-c4ccnn4[C@@H]4CCCCO4)C[C@H]3C2)n1 ZINC000116821630 JG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccnc4-c4ccnn4[C@@H]4CCCCO4)C[C@@H]3C2)n1 ZINC000116821632 JG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4I)C[C@H]3C2)n1 ZINC000116822736 JG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4I)C[C@@H]3C2)n1 ZINC000116822738 JG Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc(F)c4I)C[C@H]3C2)n1 ZINC000116822740 JG Annotated Anodyne COc1cc(Br)c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)cc1OC ZINC000116822989 JG Annotated Anodyne COc1cc(Br)c(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)cc1OC ZINC000116822992 JG Annotated Anodyne COc1cc(Br)c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)cc1OC ZINC000116822993 JG Annotated Anodyne O=C(Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c2c1OCC1(COC1)CO2 ZINC000116878887 JG Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3N3C[C@H](C)[C@@H](O)[C@H](N)C3)ccc2F)c1F ZINC000116907524 JG Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(F)cc3)CCC1)N(C(=N)N)CC2 ZINC000117337018 JG Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(F)cc3)CCC1)N(C(=N)N)CC2 ZINC000117337021 JG Annotated Anodyne CN(C)S(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000117337917 JG Annotated Anodyne CN(C)S(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000117337920 JG Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N(C)C4CCNCC4)cn3)nc2n1C1CCCC1 ZINC000117718880 JG Annotated Anodyne CCc1nn(Cc2cccc(OCCN)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117876054 JG Annotated Anodyne CCc1nn(Cc2cccc(N3CCNCC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117880339 JG Annotated Anodyne CCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(-n5cncn5)ccn34)c12 ZINC000117882050 JG Annotated Anodyne CCc1nn(Cc2cccc(CN3CCNCC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117893745 JG Annotated Anodyne CC(C)[C@@H](NC(=O)N[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 ZINC000118189579 JG Annotated Anodyne COc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(NC(=O)N3CCC[C@H](O)C3)c2n1 ZINC000118397717 JG Annotated Anodyne CC(C)(C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)n1cncn1 ZINC000118404669 JG Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5CC[C@@H](CC4=O)N5)cn3)nc2n1C1CCCC1 ZINC000118582195 JG Annotated Anodyne CNC(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5CC[C@@H](CC4=O)N5C)cn3)nc2n1C1CCCC1 ZINC000118583227 JG Annotated Anodyne CC(=O)Nc1ccc(-c2ccc(-n3c(C[C@@H]4CCN(C(=O)C5CC5)C4)n[nH]c3=O)c(F)c2)cc1 ZINC000118586770 JG Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5CC[C@H](CC4=O)N5)cn3)nc2n1-c1ccccc1 ZINC000118587185 JG Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5CC[C@@H](CC4=O)N5)cn3)nc2n1-c1ccccc1 ZINC000118590056 JG Annotated Anodyne Cn1c(C(=O)N2CCN([C@@H]3CC[C@H](O)CC3)C(=O)C2)nc2c(C(F)(F)F)cc(C3CC3)cc21 ZINC000118637255 JG Annotated Anodyne CC(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(Oc1ccn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c1)C2 ZINC000118654603 JG Annotated Anodyne CCCc1cnc(N2CCC(Oc3ccn(-c4ccc([S@@](C)=O)cc4)c(=O)c3)CC2)nc1 ZINC000118659913 JG Annotated Anodyne CCCc1cnc(N2CCC(Oc3ccn(-c4ccc([S@](C)=O)cc4)c(=O)c3)CC2)nc1 ZINC000118659916 JG Annotated Anodyne CCCc1cnc(N2CCC(Oc3cc(=O)n(-c4ccc(S(C)(=O)=O)cc4)cc3C)CC2)nc1 ZINC000118664559 JG Annotated Anodyne CCCc1cnc(N2CCC(Oc3ccn(-c4ccc(S(C)(=O)=O)c(F)c4)c(=O)c3)CC2)nc1 ZINC000118668657 JG Annotated Anodyne CN1CCC[C@H]1C(=O)NC(C)(C)C(=O)Nc1nc(-c2ccc(F)cc2)n(Cc2ccccc2)n1 ZINC000118716928 JG Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3cccnc3OCC(F)F)c12 ZINC000118830317 JG Annotated Anodyne CNC(=O)NCCn1c(-c2ccc(N3CCOCC3)cc2)cs/c1=N/c1cccc(F)c1 ZINC000118869660 JG Annotated Anodyne investigational CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000118913630 JG Annotated Mild in-man metabolite CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)C1 ZINC000118916847 JG Annotated Mild in-man CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)C1 ZINC000118916849 JG Annotated Mild in-man CC1=C(C)C(=O)O[C@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)C1 ZINC000118916851 JG Annotated Mild in-man CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)C1 ZINC000118916853 JG Annotated Mild in-man CC1=C[C@H]2[C@@H]3C[C@@H](C)[C@@]4(OCO[C@]45COCO5)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C/C(=C\O)C(=O)C=C12 ZINC000118917742 JG Annotated Mild CC1=C[C@H]2[C@@H]3C[C@H](C)[C@@]4(OCO[C@]45COCO5)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C/C(=C\O)C(=O)C=C12 ZINC000118917743 JG Annotated Mild CCC(=O)O[C@@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000118917827 JG Annotated Mild CCC(=O)O[C@@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000118917829 JG Annotated Mild CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000118921328 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000118922657 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C ZINC000118922658 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3C[C@@H](O)[C@@]21C ZINC000118922680 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000118927099 JG Annotated Mild CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl ZINC000118930289 JG Annotated Reactive CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@H]3[C@H]([C@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl ZINC000118930290 JG Annotated Reactive C[C@@H]1C[C@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C ZINC000118936993 JG Annotated Mild in-man endogenous C[C@H]1C[C@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C ZINC000118936994 JG Annotated Mild in-man endogenous C[C@@H]1C[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C ZINC000118936995 JG Annotated Mild in-man endogenous C[C@H]1C[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C ZINC000118936996 JG Annotated Mild in-man endogenous CC1=C(C)C(=O)O[C@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000118937084 JG Annotated Mild in-man endogenous CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000118937085 JG Annotated Mild in-man endogenous C[C@H]([C@@H]1C[C@@H](C)[C@@H](C)C(=O)O1)[C@H]1CC[C@@]2(O)[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C ZINC000118937288 JG Annotated Mild in-man endogenous C[C@@H]1C[C@@H]([C@H](C)[C@H]2CC[C@@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C ZINC000118937289 JG Annotated Mild in-man endogenous C[C@H]([C@@H]1C[C@@H](C)[C@@H](C)C(=O)O1)[C@H]1CC[C@@]2(O)[C@H]3[C@H](CC[C@]12C)[C@@]1(C)C(=O)C=CC[C@]1(O)[C@H]1O[C@@H]13 ZINC000118937290 JG Annotated Mild in-man endogenous C[C@@H]1C[C@@H]([C@H](C)[C@H]2CC[C@@]3(O)[C@H]4[C@H](CC[C@]23C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@H]2O[C@@H]24)OC(=O)[C@@H]1C ZINC000118937291 JG Annotated Mild in-man endogenous C[C@@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)OC(=O)[C@@H]1C ZINC000119259713 JG Annotated Mild in-man C[C@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)OC(=O)[C@@H]1C ZINC000119259819 JG Annotated Mild in-man C[C@@H]1C[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)OC(=O)[C@@H]1C ZINC000119259934 JG Annotated Mild in-man C[C@H]1C[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)OC(=O)[C@@H]1C ZINC000119260043 JG Annotated Mild in-man C[C@H]([C@H]1C[C@@H](C)[C@@H](C)C(=O)O1)[C@H]1CC[C@@]2(O)[C@H]3[C@H](CC[C@]12C)[C@@]1(C)C(=O)C=CC[C@]1(O)[C@@H]1O[C@H]31 ZINC000119284515 JG Annotated Mild in-man C[C@H]1C[C@H]([C@@H](C)[C@H]2CC[C@@]3(O)[C@H]4[C@H](CC[C@]23C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)OC(=O)[C@@H]1C ZINC000119284619 JG Annotated Mild in-man C[C@H]([C@@H]1C[C@@H](C)[C@@H](C)C(=O)O1)[C@H]1CC[C@@]2(O)[C@H]3[C@H](CC[C@]12C)[C@@]1(C)C(=O)C=CC[C@]1(O)[C@@H]1O[C@H]31 ZINC000119284727 JG Annotated Mild in-man C[C@H]1C[C@@H]([C@@H](C)[C@H]2CC[C@@]3(O)[C@H]4[C@H](CC[C@]23C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)OC(=O)[C@@H]1C ZINC000119284837 JG Annotated Mild in-man COc1cccc([C@@]2(CC(=O)N3CCC(c4nc5ccccc5o4)CC3)CC(=O)N(C)C2=O)c1 ZINC000012028646 JG Annotated Anodyne COc1cccc([C@]2(CC(=O)N3CCC(c4nc5ccccc5o4)CC3)CC(=O)N(C)C2=O)c1 ZINC000012028653 JG Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)/C=C/c1ccc(F)cc1)CC2 ZINC000012029367 JG Annotated Anodyne CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)/C=C/c1ccc(F)cc1)CC2 ZINC000012029371 JG Annotated Anodyne Cc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C(=O)c1ccc3c(c1)OCCO3)C2 ZINC000012030054 JG Annotated Anodyne CCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)CSC)CC2)[C@H]1OCc1cccnc1 ZINC000012036154 JG Annotated Anodyne Cc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)c1ccc(-c3ccc(F)cc3)cc1)C2 ZINC000012047441 JG Annotated Anodyne CC(C)Cc1nc2cc(NS(=O)(=O)N(C)C)cc(C(=O)N3CCOc4ccccc4C3)c2n1C ZINC000012048859 JG Annotated Anodyne Cc1cc(C)n2nc(C(=O)NC[C@@H]3Cc4cccc(-c5ccc(S(C)(=O)=O)cc5)c4O3)cc2n1 ZINC000012048942 JG Annotated Anodyne Cc1cc(C)n2nc(C(=O)NC[C@H]3Cc4cccc(-c5ccc(S(C)(=O)=O)cc5)c4O3)cc2n1 ZINC000012048946 JG Annotated Anodyne COC(=O)c1c(S(=O)(=O)N2CCCN(C)CC2)sc2c1CCN(C[C@@H](C)c1ccccc1)C2 ZINC000012052569 JG Annotated Anodyne COC(=O)c1c(S(=O)(=O)N2CCCN(C)CC2)sc2c1CCN(C[C@H](C)c1ccccc1)C2 ZINC000012052571 JG Annotated Anodyne CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)N3C[C@H](C)O[C@H](C)C3)c21 ZINC000012078622 JG Annotated Anodyne CN(C[C@@H]1COCCO1)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000012078636 JG Annotated Anodyne CN(C[C@H]1COCCO1)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000012078638 JG Annotated Anodyne COC(=O)[C@@H]1CCCN1C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000012122286 JG Annotated Anodyne COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N(C)C[C@@H]4CCCN(C)C4)c3C)ncc1CC2 ZINC000012132594 JG Annotated Anodyne COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N(C)C[C@H]4CCCN(C)C4)c3C)ncc1CC2 ZINC000012132601 JG Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N[C@@H](C)c1ccco1)CCN(C(=O)CC1CCCCC1)CC2 ZINC000012160637 JG Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N[C@H](C)c1ccco1)CCN(C(=O)CC1CCCCC1)CC2 ZINC000012160646 JG Annotated Anodyne COc1cc(/C(C)=N/NC(=O)c2ccc(CSc3nncn3C)cc2)cc(OC)c1OC ZINC000012312156 JG Annotated Reactive CCO[C@@H](Cc1ccc(OCCN2C(=O)COc3ccsc32)c(Br)c1)C(=O)O ZINC000012358225 JG Annotated Anodyne CCO[C@H](Cc1ccc(OCCN2C(=O)COc3ccsc32)c(Br)c1)C(=O)O ZINC000012358226 JG Annotated Anodyne CC(=O)[C@H]1[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000012377592 JG Annotated Anodyne CC(=O)[C@H]1[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000012377594 JG Annotated Anodyne CN1C(=O)[C@@]2(c3ccccc31)N(C)C[C@@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccco2)C1=O ZINC000012466862 JG Annotated Clean O=C(NC1CCCC1)[C@@H](c1ccc(O)cc1)N(C[C@@H]1CCCO1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000012467088 JG Annotated Anodyne O=C(NC1CCCC1)[C@@H](c1ccc(O)cc1)N(C[C@H]1CCCO1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000012467095 JG Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000012467234 JG Annotated Clean O=C(C1=CNN2C1=N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CCN2CCC[C@@H]2C1 ZINC000012468107 JG Annotated Anodyne O=C(C1=CNN2C1=N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCN2CCC[C@@H]2C1 ZINC000012468113 JG Annotated Anodyne C[C@H](O)c1cc2c(cc1NC(=O)C1=CNN3C1=N[C@H](c1ccco1)C[C@H]3C(F)(F)F)OCO2 ZINC000012468318 JG Annotated Anodyne CCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000012469697 JG Annotated Anodyne CCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@]2(O3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000012469701 JG Annotated Anodyne CCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@]2(O3)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000012469705 JG Annotated Anodyne CCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@]2(O3)[C@H]1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000012469709 JG Annotated Anodyne O=C(NCC[C@@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1)C(F)(F)F ZINC000012472565 JG Annotated Anodyne O=C(NCC[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1)C(F)(F)F ZINC000012472570 JG Annotated Anodyne Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(CC(=O)NC(C)(C)C)c2cccc(C)c2C)cc1 ZINC000012472759 JG Annotated Anodyne Cc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)o1 ZINC000012472778 JG Annotated Anodyne Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)o1 ZINC000012472782 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccc(C)cc3)C(=O)[C@]12C ZINC000012477494 JG Annotated Anodyne CCOC(=O)/C=C/c1ccc2c(c1)S(=O)(=O)N(c1cccc(OC)c1)[C@H]2CC(=O)OCC ZINC000012478517 JG Annotated Anodyne CCOC(=O)/C=C/c1ccc2c(c1)S(=O)(=O)N(Cc1ccc(OC)cc1)[C@H]2CC(=O)OCC ZINC000012479073 JG Annotated Anodyne COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccccc1 ZINC000012479633 JG Annotated Anodyne COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(F)cc1 ZINC000012480102 JG Annotated Anodyne COc1ccc(-c2csc(N[C@@H](CO)c3nc4ccccc4n3CCOCCO)n2)cc1 ZINC000012490018 JG Annotated Anodyne COc1ccc(-c2csc(N[C@H](CO)c3nc4ccccc4n3CCOCCO)n2)cc1 ZINC000012490026 JG Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000012498342 JG Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000012498348 JG Annotated Anodyne O=C(COC(=O)CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)NC(=O)NCc1ccco1 ZINC000012528689 JG Annotated Anodyne COCOc1ccc(/C=C2/Oc3cc(OCOC)cc(OCOC)c3C2=O)c(OCOC)c1 ZINC000012726425 JG Annotated Mild CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@]21CC ZINC000012726644 JG Annotated Anodyne COc1cc(CCCN2C(=O)C(=O)NC[C@H]2Cc2cccc3ccccc23)cc(OC)c1OC ZINC000012726824 JG Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1cccc(OC)c1 ZINC000012733467 JG Annotated Bother COc1cc(C(=O)NCC(=O)NCCSc2ccc(Br)cc2)cc(OC)c1OC ZINC000012875179 JG Annotated Anodyne CCCN(C(=O)CCSc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012977523 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000013010112 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000013010114 JG Annotated Anodyne COc1ccc(N2/C(=N/C(=O)c3ccc(Br)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000013041527 JG Annotated Mild COc1ccc(N2/C(=N/C(=O)c3ccc(Br)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000013041528 JG Annotated Mild Cc1ccc([C@@H](OC[C@@H](O)CN[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000013098041 JG Annotated Bother Cc1ccc([C@H](OC[C@@H](O)CN[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000013098042 JG Annotated Bother Cc1ccc([C@@H](OC[C@H](O)CN[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000013098043 JG Annotated Bother CCNC(=O)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C(=Nc2ccc(OCC)cc2)S1 ZINC000013115798 JG Annotated Anodyne CCO[C@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@@H](c2ccc3c(c2)OCO3)[C@@H]1CCCO ZINC000013118546 JG Annotated Anodyne O=C(C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 ZINC000013118563 JG Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCCCCO)O1 ZINC000013118582 JG Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCCCCO)O1 ZINC000013118583 JG Annotated Anodyne O=C(C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 ZINC000013118596 JG Annotated Anodyne CC1(C)SC(=S)N(NC=C2C=CC(=O)C=C2)[C@@H]1N(O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000013120245 JG Annotated Mild CC1(C)SC(=S)N(NC=C2C=CC(=O)C=C2)[C@H]1N(O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000013120247 JG Annotated Mild C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)NN/C=C1\C=C(Cl)C=CC1=O ZINC000013120254 JG Annotated Reactive C=CCC1=C/C(=C/NNC(=O)CSc2nnc(CCCc3ccc(OC)cc3)o2)C=C(OC)C1=O ZINC000013122172 JG Annotated Reactive COc1ccc(Cc2nc3ccccc3n2CC(=O)NN/C=C2\C=CC(C)=CC2=O)cc1OC ZINC000013122480 JG Annotated Reactive O=C1C=CC([N+](=O)[O-])=C/C1=C\NN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000013123248 JG Annotated Mild COC1=CC(Br)=C/C(=C\NNC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000013125666 JG Annotated Reactive C=C(C)Cn1c(SCC(=O)NN/C=C2\C(=O)C=Cc3ccccc32)nc2ccccc2c1=O ZINC000013125938 JG Annotated Reactive O=C1C(Br)=CC(Br)=C/C1=C\NNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000013130844 JG Annotated Reactive CCOC(=O)N1CCC(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@@H]4C2=O)CC1 ZINC000013132312 JG Annotated Anodyne CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@@H]4C2=O)CC1 ZINC000013132313 JG Annotated Anodyne C/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1/N=C(\C)c1cccc(OCC(=O)O)c1 ZINC000013135905 JG Annotated Mild C/N=C1/S[C@@H](CC(=O)Nc2ccc(C)cc2C)C(=O)N1/N=C(\C)c1ccc(OCC(=O)O)cc1 ZINC000013135909 JG Annotated Mild O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 ZINC000013136336 JG Annotated Mild O=C(COC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 ZINC000013136337 JG Annotated Mild C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)CSc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000013136696 JG Annotated Anodyne CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000013144279 JG Annotated Anodyne CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@H]32)cc1 ZINC000013144281 JG Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000013146642 JG Annotated Reactive CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000013146643 JG Annotated Reactive CC[C@@H](C)N1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000013147269 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000013147270 JG Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@]2(O3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000013147271 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@]2(O3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000013147272 JG Annotated Anodyne CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)o2)cc1 ZINC000013151523 JG Annotated Reactive CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000013153262 JG Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000013153264 JG Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@@](C)(C=CC3=O)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C ZINC000013301648 JG Annotated Mild COc1cc(CO)c2c(OC)c(-c3c(OC)cc(C)c4c(OC)cc(=O)oc34)c(=O)oc2c1 ZINC000013308702 JG Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)c1c(Cc2cc(O)cc(=O)o2)cc2cc(O)cc(O)c2c1O ZINC000013334584 JG Annotated Anodyne COc1cc(O)ccc1[C@H](O)[C@@H](Cc1ccc(O)cc1)OC(=O)c1cc(OC)c(O)c(OC)c1 ZINC000013341119 JG Annotated Anodyne in-vitro biogenic COc1cc(O)ccc1[C@@H](O)[C@H](Cc1ccc(O)cc1)OC(=O)c1cc(OC)c(O)c(OC)c1 ZINC000013341125 JG Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CC(=O)Nc3ccc(C)c(C)c3)c21 ZINC000013363968 JG Annotated Anodyne C[C@@H](O)[C@@H](C(=O)O)N1Cc2c(cc(O)c3c2O[C@]2(C3)[C@H](C)CC[C@H]3C(C)(C)[C@H](O)CC[C@@]32C)C1=O ZINC000013367877 JG Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccco3)OC(=O)[C@H]3O[C@]321 ZINC000013370400 JG Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)c1c2c3c(c(O)cc(C)c3oc1=O)C(=O)c1c(O)cc(O)cc1-2 ZINC000013373599 JG Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@H](O)[C@@]34O[C@@](OC)(CC[C@]3(C)[C@@H]1C2)OC4(C)C ZINC000013374456 JG Annotated Anodyne in-man endogenous COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@H](O)[C@@]34O[C@@](OC)(CC[C@]3(C)[C@@H]1C2)OC4(C)C ZINC000013374458 JG Annotated Anodyne in-man COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@@H](O)[C@@]34O[C@@](OC)(CC[C@]3(C)[C@@H]1C2)OC4(C)C ZINC000013374460 JG Annotated Anodyne in-man COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](O)[C@@]34O[C@@](OC)(CC[C@]3(C)[C@@H]1C2)OC4(C)C ZINC000013374462 JG Annotated Anodyne in-man COC(=O)CC[C@@]1(C)[C@@H]2Cc3c(c(C)c4c(c3OC)C(=O)OC4)O[C@]2(C)C[C@H](O)[C@@H]1C(C)(C)O ZINC000013374473 JG Annotated Anodyne in-man COC(=O)CC[C@@]1(C)[C@@H]2Cc3c(c(C)c4c(c3OC)C(=O)OC4)O[C@@]2(C)C[C@H](O)[C@@H]1C(C)(C)O ZINC000013374475 JG Annotated Anodyne in-man COC(=O)CC[C@@]1(C)[C@@H]2Cc3c(c(C)c4c(c3OC)C(=O)OC4)O[C@]2(C)C[C@@H](O)[C@@H]1C(C)(C)O ZINC000013374477 JG Annotated Anodyne in-man COC(=O)CC[C@@]1(C)[C@@H]2Cc3c(c(C)c4c(c3OC)C(=O)OC4)O[C@@]2(C)C[C@@H](O)[C@@H]1C(C)(C)O ZINC000013374479 JG Annotated Anodyne in-man endogenous COc1cc(OC)c([C@@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@H]2CO)cc1O ZINC000013381011 JG Annotated Bother Cc1ccc(C(=O)O[C@@H]2C=C3CCN(C)[C@@H]3[C@@H](c3cc4c(cc3C(=O)O)OCO4)C2)c(C)n1 ZINC000013403503 JG Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)Oc2c(O)cc(O)c(C(=O)O)c2C)c(O)c1 ZINC000013411097 JG Annotated Anodyne CC1=C(C)[C@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23[C@H](/C=C/C[C@@H](C)C[C@](C)(O)/C=C\[C@H]3O)[C@@H]1O ZINC000013431089 JG Annotated Anodyne in-man CC1=C(C)[C@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23[C@H](/C=C/C[C@H](C)C[C@](C)(O)/C=C\[C@H]3O)[C@@H]1O ZINC000013431090 JG Annotated Anodyne in-man CC1=C(C)[C@H]2[C@@H](Cc3ccccc3)NC(=O)[C@]23[C@H](O)/C=C\[C@@](C)(O)C[C@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000013431092 JG Annotated Anodyne in-man O=C(O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O)c1ccc2c(c1)CCC2 ZINC000013436093 JG Annotated Anodyne COc1cc2c(cc1OC)-c1c(oc3c4c(cc(O)c3c1=O)OC(C)(C)[C@H](O)[C@@H]4OC)CO2 ZINC000013436946 JG Annotated Anodyne in-vitro biogenic O=C(O)C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2nc3ccccc3[nH]2)c2ccccc21 ZINC000013437643 JG Annotated Anodyne O=C(O)C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2nc3ccccc3[nH]2)c2ccccc21 ZINC000013437646 JG Annotated Anodyne COC1(c2cc(F)cc(OCc3nc(-c4ccc(F)cc4)c(S(N)(=O)=O)o3)c2)CCOCC1 ZINC000013439553 JG Annotated Anodyne Nc1ncnc2cc(CN3CCN(S(=O)(=O)c4cc5ccc(Cl)cc5s4)CC3=O)ccc12 ZINC000013439833 JG Annotated Anodyne Nc1ncnc2cc(CN3CCN(Cc4nc5cc(Cl)c(Cl)cc5[nH]4)CC3=O)ccc12 ZINC000013439849 JG Annotated Anodyne CN(CC(=O)N[C@@H](CC(=O)O)C1CCCCC1)C(=O)c1ccc(NC(=O)NCc2ccccc2)o1 ZINC000013441596 JG Annotated Anodyne CN(CC(=O)N[C@H](CC(=O)O)C1CCCCC1)C(=O)c1ccc(NC(=O)NCc2ccccc2)o1 ZINC000013441598 JG Annotated Anodyne Cc1ccc([C@H](CC(=O)O)NC(=O)CN(C)C(=O)c2ccc(NC(=O)NCc3ccccc3)o2)cc1 ZINC000013441600 JG Annotated Anodyne Cc1ccc([C@@H](CC(=O)O)NC(=O)CN(C)C(=O)c2ccc(NC(=O)NCc3ccccc3)o2)cc1 ZINC000013441603 JG Annotated Anodyne Cc1cc(C(=O)N2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc4c(c3)CCC4)c21 ZINC000013445469 JG Annotated Anodyne O=c1n(CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc2n1CCOC2 ZINC000013447898 JG Annotated Anodyne O=c1nc2n(c(=O)n1CCN1CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)CCC2 ZINC000013447922 JG Annotated Anodyne CCCN(Cc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1ccc2c3c(cccc13)C(=O)N2 ZINC000013450082 JG Annotated Anodyne CC(C)N(Cc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1ccc2c3c(cccc13)C(=O)N2 ZINC000013450086 JG Annotated Anodyne Cc1ccc2c3c(ccc(N(C)Cc4ccc(S(=O)(=O)N5CCOCC5)cc4)c13)NC2=O ZINC000013450204 JG Annotated Anodyne CNC1=Nc2ccc(N(C)Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)c3cccc1c23 ZINC000013450249 JG Annotated Anodyne COc1c(O)cc(CO)c(Cc2cc(O)c(O)c(Br)c2Br)c1O ZINC000013450760 JG Annotated Clean COc1c(O)ccc2c1O[C@@H](CO)[C@@H]2Oc1ccc2c(=O)oc3cc(O)ccc3c2c1OC ZINC000013461126 JG Annotated Bother COc1cc(-c2oc3c(C(=O)O)c(C)c(C)c(O)c3c(=O)c2C(C)(C)O)cc2c1OCCO2 ZINC000013462729 JG Annotated Anodyne COC(=O)[C@H](CCSC)N(C(=O)c1ccccc1)C1CCN(C(=O)c2cscn2)CC1 ZINC000013472193 JG Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(S(=O)(=O)NC(=O)Nc3ccccc3)ccc2O1 ZINC000013472645 JG Annotated Anodyne O=C1NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1CCCO ZINC000013473147 JG Annotated Anodyne CCCCn1c(=O)c2nn(S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2n(CCCC)c1=O ZINC000013473879 JG Annotated Anodyne CCCCn1c(=O)c2cn(S(=O)(=O)c3ccc(C(C)(C)C)cc3)nc2n(CCCC)c1=O ZINC000013473884 JG Annotated Anodyne C/C=C/C=C/C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@H]1C(N)=O ZINC000013478562 JG Annotated Anodyne C/C=C/C=C/C(=O)N1C[C@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@H]1C(N)=O ZINC000013478564 JG Annotated Anodyne C=C(C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)c2ccc(Cl)cc2)C3)c1 ZINC000013478587 JG Annotated Mild C=C(C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)c2ccc(Cl)cc2)C3)c1 ZINC000013478589 JG Annotated Mild C/C=C\C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)c2ccc(Cl)cc2)C3)c1 ZINC000013478625 JG Annotated Anodyne C/C=C\C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)c2ccc(Cl)cc2)C3)c1 ZINC000013478627 JG Annotated Anodyne C/C=C\C=C/C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)c2ccccc2)C3)c1 ZINC000013478772 JG Annotated Anodyne C/C=C\C=C/C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)c2ccccc2)C3)c1 ZINC000013478774 JG Annotated Anodyne C/C=C\C=C/C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)c2ccc(OC)cc2)C3)c1 ZINC000013478899 JG Annotated Anodyne C/C=C\C=C/C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)c2ccc(OC)cc2)C3)c1 ZINC000013478902 JG Annotated Anodyne C/C=C\C=C/C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)CCCCC)C3)c1 ZINC000013478942 JG Annotated Anodyne C/C=C\C=C/C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)CCCCC)C3)c1 ZINC000013478944 JG Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@H]2CC[C@@H](OC(=O)/C=C/[S@](C)=O)[C@@H](C)[C@]12C ZINC000013486213 JG Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@H]2CC[C@@H](OC(=O)/C=C/[S@](C)=O)[C@@H](C)[C@@]21C ZINC000013486214 JG Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@H]2CC[C@@H](OC(=O)/C=C/[S@](C)=O)[C@@H](C)[C@]12C ZINC000013486215 JG Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2C[C@H]2CC[C@@H](OC(=O)/C=C/[S@](C)=O)[C@@H](C)[C@@]21C ZINC000013486216 JG Annotated Anodyne in-man Oc1ccc(CCNc2nc(SCCOc3ccc(Cl)cc3)nc(N3CCNCC3)n2)cc1 ZINC000013492563 JG Annotated Anodyne CN(CCCc1ccccc1Cl)c1nc(NCCc2ccc(O)cc2)nc(N2CCNCC2)n1 ZINC000013492570 JG Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2ncccc2[nH]1 ZINC000013493276 JG Annotated Anodyne Nc1nccc2[nH]c(CN3CCN(S(=O)(=O)c4cc5ccc(Cl)cc5s4)CC3=O)cc12 ZINC000013493280 JG Annotated Anodyne Cn1c(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cc2cnccc21 ZINC000013493283 JG Annotated Anodyne O=C1CN(S(=O)(=O)c2sc3ccccc3c2Cl)CCN1Cc1cc2cnccc2[nH]1 ZINC000013493286 JG Annotated Anodyne COc1ccc([C@@H]2N[C@@](Cc3ccccc3)(C(=O)O)[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]32)cc1 ZINC000013521857 JG Annotated Anodyne COc1ccc([C@H]2N[C@@](Cc3ccccc3)(C(=O)O)[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]23)cc1 ZINC000013521861 JG Annotated Anodyne COc1ccc([C@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]23)cc1 ZINC000013521869 JG Annotated Anodyne CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)C2CC2)cc1 ZINC000013527855 JG Annotated Anodyne COc1ccc([C@H](CC(=O)O)N2CCN(CCCc3ccc4c(n3)NCCC4)C2=O)cc1F ZINC000013528497 JG Annotated Anodyne COc1ccc(C(=O)N[C@@H](C(=O)NCC2CCN(C(C)C)CC2)c2ccccc2[N+](=O)[O-])cc1 ZINC000013534857 JG Annotated Bother C[C@@H]1CCCN(C(=O)C(C)(C)c2ccc3c(c2)nc(Cc2ccc(C(=N)N)cc2)c(=O)n3C)C1 ZINC000013535254 JG Annotated Anodyne C[C@H]1CCCN(C(=O)C(C)(C)c2ccc3c(c2)nc(Cc2ccc(C(=N)N)cc2)c(=O)n3C)C1 ZINC000013535258 JG Annotated Anodyne CC(C)C[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C[C@@H]2[C@H]2Sc3[nH]c(=O)sc3[C@H](c3ccccc3)[C@H]12 ZINC000013545479 JG Annotated Anodyne CC(C)C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C[C@@H]2[C@H]2Sc3[nH]c(=O)sc3[C@H](c3ccccc3)[C@H]12 ZINC000013545481 JG Annotated Anodyne CC(C)C[C@H](C(=O)O)N1C(=O)[C@H]2[C@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5ccccc5)[C@H]34)[C@@H]2C1=O ZINC000013545483 JG Annotated Anodyne CC(C)C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5ccccc5)[C@H]34)[C@@H]2C1=O ZINC000013545485 JG Annotated Anodyne Cc1ccc(C(=O)NCCN2C3=NC[C@H](C)N3C[C@H]2Cc2ccc(O)cc2)cc1Br ZINC000013545675 JG Annotated Anodyne Cc1ccccc1NC(=O)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])cn1 ZINC000013553645 JG Annotated Bother Cc1cccc(NC(=O)OCc2cn(-c3cc4nc(C(=O)O)c(O)nc4cc3[N+](=O)[O-])cn2)c1 ZINC000013553646 JG Annotated Bother Cc1ccc(NC(=O)OCc2cn(-c3cc4nc(C(=O)O)c(O)nc4cc3[N+](=O)[O-])cn2)cc1 ZINC000013553647 JG Annotated Bother O=C(Cc1ccccc1)OC1C[C@@H]2CC[C@H](C1)N2N/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1 ZINC000013553911 JG Annotated Mild in-vivo N#CC1(OC(=O)Cc2ccccc2)CCN(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013553921 JG Annotated Mild O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccnc1)C(=S)NCc1ccco1)OCCO3 ZINC000013555111 JG Annotated Anodyne CN(C)CCc1c(C(=O)NCCc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12 ZINC000013557171 JG Annotated Anodyne CN(C)CCc1c(C(=O)N(C)Cc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12 ZINC000013557185 JG Annotated Anodyne Cc1ccc(CNC(=O)c2[nH]c3ccc(CCN4C(=O)NC(C)(C)C4=O)cc3c2CCN(C)C)cc1 ZINC000013557194 JG Annotated Anodyne CN(C)CCc1c(C(=O)Nc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12 ZINC000013557207 JG Annotated Anodyne CN(C)CCc1c(C(=O)NCc2ccc(F)cc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12 ZINC000013557209 JG Annotated Anodyne CCOP(=O)(CCCCCCCCn1c(N)c(Br)c(=O)[nH]c1=O)OCC ZINC000013558106 JG Annotated Anodyne CNC(=S)NS(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1C(C)C ZINC000013558427 JG Annotated Anodyne Cc1ccc(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)cc1 ZINC000013580953 JG Annotated Anodyne COC[C@H](C)Oc1nc(N2CCCCC2)c2nc(O[C@@H](C)COC)nc(N3CCCCC3)c2n1 ZINC000013583355 JG Annotated Anodyne COC[C@@H](C)Oc1nc(N2CCCCC2)c2nc(O[C@H](C)COC)nc(N3CCCCC3)c2n1 ZINC000013583358 JG Annotated Anodyne COC[C@H](C)Oc1nc(N2CCCCC2)c2nc(O[C@H](C)COC)nc(N3CCCCC3)c2n1 ZINC000013583360 JG Annotated Anodyne NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O ZINC000013583414 JG Annotated Anodyne Cc1ccc(C(N)=O)cc1Nc1nc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(N2CCCNCC2)n1 ZINC000013586058 JG Annotated Anodyne NCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)c1nc(C(=O)Nc2cnc3ccccc3c2)co1 ZINC000013587020 JG Annotated Anodyne CC(Cl)(Cl)[C@@H](NC(=O)c1ccc(Br)cc1)N/C(=N/c1cccnc1)NC#N ZINC000013588850 JG Annotated Mild CC(Cl)(Cl)[C@H](NC(=O)c1ccc(Br)cc1)N/C(=N/c1cccnc1)NC#N ZINC000013588851 JG Annotated Mild C/N=C(/NCC[C@H]1CCCC[C@@]1(/C(S)=N\C)c1cccnc1)NS(=O)(=O)c1ccccc1 ZINC000013590030 JG Annotated Mild CNC1=Nc2ccc(N(C)Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)c3c(C)ccc1c23 ZINC000013600952 JG Annotated Anodyne COC(=O)c1cc(OC)c2c(c1-c1c3c(c(OC)c(Br)c1C(=O)OC)OCO3)OCO2 ZINC000013603408 JG Annotated Anodyne COCOCCOc1cc(OC)ccc1C[S@@](=O)c1ncccc1C(=O)Nc1ccncc1 ZINC000013605349 JG Annotated Anodyne COCOCCOc1cc(OC)ccc1C[S@](=O)c1ncccc1C(=O)Nc1ccncc1 ZINC000013605351 JG Annotated Anodyne CC(C)OC(=O)c1[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc2c1C1=CCN(C)CC1 ZINC000013605939 JG Annotated Anodyne O=C1O[C@@H](Cn2cc(/C=C/Br)nn2)CN1c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1 ZINC000013608001 JG Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCN(C)CC2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO ZINC000013634904 JG Annotated Anodyne C/C(CCC(C)C)=N\N=C(\S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000013637459 JG Annotated Mild CCOC(=O)CCc1cnccc1N1CCC(COc2ccc3c(c2)CN(C(=N)N)CC3)CC1 ZINC000013644380 JG Annotated Anodyne O=C(O)c1ccccc1C(=O)NCCO/C(S)=N\c1ccc(I)cc1 ZINC000013644804 JG Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3cncc(C#N)c3)c(F)c2)C(=O)O1 ZINC000013648782 JG Annotated Mild CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(S(=O)(=O)NC2Cc3ccccc3C2)cc1 ZINC000013650002 JG Annotated Clean O=C1C[C@@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2Cc1ccc2ccccc2c1Br ZINC000013651434 JG Annotated Anodyne O=C1C[C@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2Cc1ccc2ccccc2c1Br ZINC000013651435 JG Annotated Anodyne COc1ccc(CN2CCN(Cc3ccc(OC)c(OC)c3)C(=S)NC2=S)cc1OC ZINC000013652015 JG Annotated Anodyne COc1cc(OC)cc(OC2=C(Cl)C(=O)c3c(OC(C)=O)ccc(OC(C)=O)c3C2=O)c1 ZINC000013652351 JG Annotated Mild C#CCNC(=O)C1=C[C@@H](c2cn(C(C)=O)c3ccccc23)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013656384 JG Annotated Mild C#CCNC(=O)C1=C[C@H](c2cn(C(C)=O)c3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013656485 JG Annotated Mild CCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2ccc(Br)cc2)[C@@H]1CCCO ZINC000013656821 JG Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](c2ccc(Br)cc2)[C@H]1CCCO ZINC000013656825 JG Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCN(C)CC2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO ZINC000013656852 JG Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@@H](C(C)(C)C)[C@@H]1CCCO ZINC000013656875 JG Annotated Anodyne CC(C)(C)[C@H]1C=C(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)O[C@@H](OCCCCO)C1 ZINC000013656901 JG Annotated Anodyne CCN(CC)C(=O)c1[nH]cnc1C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000013657147 JG Annotated Anodyne CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000013657384 JG Annotated Anodyne C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C ZINC000013657495 JG Annotated Anodyne O=C1CCN(S(=O)(=O)c2ccccc2)CCN1CCOCc1ccc(C(F)(F)F)cc1 ZINC000013659668 JG Annotated Anodyne C=C1CCN([C@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)C(C)C)S(=O)(=O)c2ccccc21 ZINC000013659991 JG Annotated Mild O=S(=O)(/N=C(\O)Nc1ccc(-c2nnn[nH]2)cc1OC(F)(F)F)c1ccc(Cl)cc1 ZINC000013673956 JG Annotated Mild CONC(=O)c1ccc(C)c(Nc2nc(N3CCCN(C)CC3)nc(N(C)CC(C)(C)C)c2C#N)c1 ZINC000013674000 JG Annotated Mild Cc1ccccc1-c1cn([C@@H]2OC[C@@H](O)[C@H]2O)c2ncnc(Nc3ccc4c(c3)OCCO4)c12 ZINC000013674253 JG Annotated Anodyne N#CCNC(=O)C1(NC(=O)c2ccc(-c3csc(OC4CCNCC4)n3)cc2)CCCCC1 ZINC000013676379 JG Annotated Mild C[C@@H](Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)Nc1ccc(Br)cc1 ZINC000013678769 JG Annotated Anodyne C[C@H](Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)Nc1ccc(Br)cc1 ZINC000013678771 JG Annotated Anodyne Cc1cc(C#N)cc(C(=O)c2cc(Cl)ccc2OCC(=O)Nc2ccc(S(N)(=O)=O)nc2C)c1 ZINC000013679745 JG Annotated Mild Cc1cc(C#N)cc(C(=O)c2cc(Cl)ccc2OCC(=O)Nc2cnc(S(N)(=O)=O)cc2C)c1 ZINC000013679748 JG Annotated Mild Cc1cc(C#N)cc(C(=O)c2cc(Cl)ccc2OCC(=O)Nc2ncc(S(N)(=O)=O)cc2C)c1 ZINC000013679750 JG Annotated Mild COc1cc(C(=O)C(=O)N2[C@H]3CCC[C@@H]2C(=O)N2CCc4ccc(C)cc4[C@@H]32)cc(OC)c1OC ZINC000013681233 JG Annotated Anodyne COc1cc(C(=O)C(=O)N2[C@H]3CCC[C@@H]2[C@@H]2c4cc(C)ccc4CCN2C3=O)cc(OC)c1OC ZINC000013681235 JG Annotated Anodyne C/N=C1/S[C@H](CC(=O)Nc2ccc(C)cc2C)C(=O)N1/N=C(\C)c1ccc(OCC(=O)O)cc1 ZINC000013683242 JG Annotated Mild CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc[nH]c2=O)c1 ZINC000013683286 JG Annotated Anodyne CCOC(=O)C1=C(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)Nc2ccccc2N=C1CC ZINC000013684661 JG Annotated Anodyne Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)c2[nH]nc(-c5ccc(O)cc5)c2C4=NCC3)cc1 ZINC000013687129 JG Annotated Clean Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)c2c(-c5ccc(O)cc5)n[nH]c2C4=NCC3)cc1 ZINC000013687163 JG Annotated Clean CN(C)CCNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013726492 JG Annotated Bother COc1ccc2c(c1F)[C@]1(CC(O)=NC1=O)C(=O)N(Cc1ccc(Br)cc1F)C2=O ZINC000013737586 JG Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)n2c3cc(O)c(O)cc3c3c(Br)cc(O)c(O)c32)cc1 ZINC000013737768 JG Annotated Clean O=C(O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NS(=O)(=O)c1cccs1 ZINC000013738128 JG Annotated Anodyne CC(C)Nc1cccnc1N(C)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758737 JG Annotated Anodyne CN(c1ncccc1NC1CC1)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758749 JG Annotated Anodyne CCNc1cccnc1N(CC)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758769 JG Annotated Anodyne C[C@@H](CC(=O)O)N1CC(=O)N(C(C)(C)C)c2c(Cl)cc(C#Cc3ccc(C(=N)N)cc3)cc2C1=O ZINC000013761184 JG Annotated Mild C[C@H](CC(=O)O)N1CC(=O)N(C(C)(C)C)c2c(Cl)cc(C#Cc3ccc(C(=N)N)cc3)cc2C1=O ZINC000013761185 JG Annotated Mild CN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2OCC(F)(F)F)CC1 ZINC000013764571 JG Annotated Anodyne C#CCN(C(=O)c1ccc(C(=N)N)cc1)[C@H](CCCC)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 ZINC000013779881 JG Annotated Mild C#CCN(C(=O)c1ccc(C(=N)N)cc1)[C@@H](CCCC)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 ZINC000013779882 JG Annotated Mild COC(=O)c1ccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)cc1Cl ZINC000013782338 JG Annotated Anodyne COCC(COC)Oc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794917 JG Annotated Anodyne COC(=O)c1c(C(=O)N2CCN(CCO)CC2)cc2cc(OC)c(OC)cc2c1-c1cccs1 ZINC000013796710 JG Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(O)(CNCc2cccc(-n3cccn3)n2)CC1 ZINC000013797278 JG Annotated Anodyne C[C@H]1CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)[C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F ZINC000013804127 JG Annotated Anodyne O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2)ccc1N/N=C(/S)NCc1ccccc1 ZINC000013805542 JG Annotated Mild CCCCn1c(=O)c2c(ncn2S(=O)(=O)c2cc(C)c(Cl)cc2C)n(CCCC)c1=O ZINC000013806669 JG Annotated Anodyne CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N\CCOC)[C@]2(C)[C@H]2C1=CC[C@H]1C(=O)N=C(O)[C@H]12 ZINC000013813026 JG Annotated Mild CCOC(=O)[C@H]1C(C(=O)OC)=C(c2ccc(F)cc2)c2ccccc2N1S(=O)(=O)C(F)(F)F ZINC000013814208 JG Annotated Anodyne CCOC(=O)[C@@H]1C(C(=O)OC)=C(c2ccc(F)cc2)c2ccccc2N1S(=O)(=O)C(F)(F)F ZINC000013814212 JG Annotated Anodyne CCOC(=O)[C@H]1C(C(=O)OC)=C(c2ccc(OC)cc2)c2ccccc2N1S(=O)(=O)C(F)(F)F ZINC000013814621 JG Annotated Anodyne CCOC(=O)[C@@H]1C(C(=O)OC)=C(c2ccc(OC)cc2)c2ccccc2N1S(=O)(=O)C(F)(F)F ZINC000013814625 JG Annotated Anodyne C=CCN1C=C2C(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C=C2C=C1/C=C/COC ZINC000013816723 JG Annotated Mild C=CCN1C=C2C(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C=C2C=C1/C=C/COC ZINC000013816727 JG Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1C1CC1 ZINC000013816766 JG Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1C1CC1 ZINC000013816769 JG Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CC1CC1 ZINC000013816789 JG Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CC1CC1 ZINC000013816792 JG Annotated Mild C[C@@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(CCN3CCOCC3)C=C2C1=O ZINC000013817121 JG Annotated Mild C[C@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(CCN3CCOCC3)C=C2C1=O ZINC000013817125 JG Annotated Mild COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)N(c3ccc(OC)cc3)C=C2C1=O ZINC000013817269 JG Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)N(c3ccc(OC)cc3)C=C2C1=O ZINC000013817272 JG Annotated Mild COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)N(Cc3ccc(OC)cc3)C=C2C1=O ZINC000013817330 JG Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)N(Cc3ccc(OC)cc3)C=C2C1=O ZINC000013817332 JG Annotated Mild Cc1noc(C)c1S(=O)(=O)N1CCc2nc(COc3ccccc3)c3c(c2C1)CO[C@@H](C)C3 ZINC000013817442 JG Annotated Anodyne CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(S(=O)(=O)c1ccc3c(c1)OCCN3C)CC2 ZINC000013817484 JG Annotated Anodyne COC(=O)[C@@H](NC(=O)N1CCc2nc(COc3ccccc3)c3c(c2C1)CO[C@@H](C)C3)C(C)C ZINC000013817488 JG Annotated Anodyne CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(S(=O)(=O)c1ccccc1C(=O)OC)CC2 ZINC000013817613 JG Annotated Anodyne C=C(C)[C@H]1C[C@H](OC(C)=O)[C@@]23O[C@@H]2[C@@H](C[C@]2(C)O[C@H]2c2cc(C)c(o2)[C@@H]1OC(C)=O)OC3=O ZINC000013822100 JG Annotated Mild CC(=O)O[C@H]1C[C@H]([C@@]2(C)CO2)[C@@H](OC(C)=O)c2oc(cc2C)[C@@H]2O[C@@]2(C)C[C@@H]2C=C1C(=O)O2 ZINC000013822108 JG Annotated Anodyne CC(=O)O[C@H]1C[C@H]([C@]2(C)CO2)[C@@H](OC(C)=O)c2oc(cc2C)[C@@H]2O[C@@]2(C)C[C@@H]2C=C1C(=O)O2 ZINC000013822110 JG Annotated Anodyne CC[C@@H]1O[C@]2(C)[C@@H](O)[C@@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)O[C@@]1(C)[C@@H]2OC(C)=O ZINC000013827591 JG Annotated Anodyne CC[C@H]1O[C@]2(C)[C@@H](O)[C@@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)O[C@@]1(C)[C@@H]2OC(C)=O ZINC000013827594 JG Annotated Anodyne O=C(CNC(=O)c1ccccc1)O[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000013831777 JG Annotated Bother O=C(CNC(=O)c1ccccc1)O[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000013831778 JG Annotated Bother Nc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1c(Cl)cncc1Cl)C(=O)N3CC2 ZINC000013835630 JG Annotated Anodyne COC(=O)c1c(C(=O)OC)c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c1-c1ccc(F)cc1 ZINC000013861020 JG Annotated Anodyne O=C(OC[C@@H]1[C@H](Cc2ccccc2)C(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000013862668 JG Annotated Bother N[C@@H](CS)C(=O)Nc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C(=O)c2ccccc2)c1 ZINC000013863787 JG Annotated Mild N[C@@H](CS)C(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)c(C(=O)c2ccccc2)c1 ZINC000013863797 JG Annotated Mild Cc1ccc(CS(=O)(=O)Nc2ccc(NC(=O)[C@@H](N)CS)cc2C(=O)c2ccccc2)cc1 ZINC000013863798 JG Annotated Mild N#Cc1ccc(Cn2cncc2CN(CCCN)[C@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000013863885 JG Annotated Mild COc1ccc(C)cc1S(=O)(=O)Oc1cccc(OCCc2ccc(C(=N)N)c(O)c2)c1 ZINC000013864360 JG Annotated Anodyne CN(C)c1nc(NCCCNCCCCCCCCCCCCNCCCN)nc(N(C)C)n1 ZINC000013864379 JG Annotated Anodyne NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(N2CCC(Br)CC2)c([N+](=O)[O-])c1 ZINC000013878862 JG Annotated Reactive NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(N2CCC(Br)CC2)c([N+](=O)[O-])c1 ZINC000013878863 JG Annotated Reactive CC(C)Nc1ccc([C@@H](CC(N)=O)NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000013878944 JG Annotated Bother CC(C)Nc1ccc([C@H](CC(N)=O)NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000013878945 JG Annotated Bother C[C@H]1N(C(=O)c2ccc(C(F)(F)F)cc2)C[C@H](O)O[C@@]1(Cn1cncn1)c1ccc(F)cc1F ZINC000013905842 JG Annotated Anodyne CC(=O)O[C@@H]1CC(=O)O[C@@H]2C[C@@H](CC/C(Cl)=C/C/C=C\1C)O[C@@H]2[C@H](O)/C=C(\C)CC(=O)O ZINC000013909225 JG Annotated Anodyne in-vitro CN1Cc2cccnc2[C@H](N2CCN(/C(=N/Cc3ccncc3)NC#N)CC2)c2ccc(Cl)cc21 ZINC000013912215 JG Annotated Mild N#C[C@@]1(NC(=O)[C@@H](CC(=O)N2CCOCC2)CC2CCCCC2)CCN(C2CCCCC2)C1 ZINC000013918408 JG Annotated Mild CC1CCC(C[C@H](CC(=O)N2CCOCC2)C(=O)N[C@]2(C#N)CCN(C3CCCCC3)C2)CC1 ZINC000013918418 JG Annotated Mild CC(C)Cc1ccc([C@H](C)C(=O)OCCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1 ZINC000013918914 JG Annotated Anodyne COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCN(C)CC3)c3ccccc32)c2ccccc12 ZINC000013974599 JG Annotated Anodyne Cc1ncc([C@H](CC(=O)O)CC2CCN(C(=O)CCc3ccc4c(n3)NCCC4)CC2)cn1 ZINC000013975801 JG Annotated Anodyne COc1ncc([C@@H](CC(=O)O)CC2CCN(C(=O)CCc3ccc4c(n3)NCCC4)CC2)c(OC)n1 ZINC000013975809 JG Annotated Anodyne O=C(O)C[C@@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)n[nH]1)c1ccc2c(c1)OCO2 ZINC000013976949 JG Annotated Anodyne CCN(CC)CCOc1ccc(-c2cc(C(=O)N[C@@H]3CCCNC3)c(NC(N)=O)s2)cc1 ZINC000013980174 JG Annotated Anodyne CCN(CC)CCOc1ccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)cc1 ZINC000013980176 JG Annotated Anodyne C[C@@H](C1=C[C@H](O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000135620004 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000135653565 JG Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000135654195 JG Annotated Mild CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000135662289 JG Annotated Mild CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000135662342 JG Annotated Mild COc1cc2cc(OC)c1/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/c1ccc(O)c(c1)O2 ZINC000135755156 JG Annotated Anodyne COc1ccc(/C=C/C(=O)N2Cc3[nH]cnc3C[C@@H]2C(=O)NCCc2cccc(Cl)c2)cc1OC ZINC000135864299 JG Annotated Anodyne COc1ccc(/C=C/C(=O)N2Cc3[nH]cnc3C[C@H]2C(=O)NCCc2cccc(Cl)c2)cc1OC ZINC000135864346 JG Annotated Anodyne CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000136019460 JG Annotated Mild CN1C(=O)c2c(nn(Cc3ccc(S(C)(=O)=O)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000136032075 JG Annotated Anodyne C[C@@H]1C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C[C@H]1C ZINC000136131416 JG Annotated Mild C#C[C@@H](Br)[C@H]1C[C@H]2O[C@H]([C@@H](Br)CC)C[C@H](Br)[C@H](O)C[C@H]2O1 ZINC000136189120 JG Annotated Reactive C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)[C@@H]2O[C@H]2C(=O)C1 ZINC000136194671 JG Annotated Anodyne CC[C@H]1CCC[C@@H](CC)C(=O)NCCC[C@@H](CC)[C@H](O[C@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC1 ZINC000136408707 JG Annotated Anodyne CC1=CC(=O)[C@H]2CC(=O)[C@H]3[C@@](C)(C[C@@]45OC(=O)C[C@]3(C)[C@]4(C)CC[C@]34C[C@@H](C)[C@@H](O)[C@H](CN35)O4)[C@@H]2C1 ZINC000136410092 JG Annotated Mild CC(C)[C@@H](O)/C=C/[C@@H](C)[C@H]1C[C@H](O)[C@H]2[C@]3(O)C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000136446938 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32CO)C1 ZINC000136475416 JG Annotated Mild C[C@H]1C/C=C\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)O/C=C\[C@@](C)(O)C1=O ZINC000136570898 JG Annotated Anodyne C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)O/C=C\[C@@](C)(O)C1=O ZINC000136570944 JG Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](O)[C@H](O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](O)[C@]123)C4(C)C ZINC000136662953 JG Annotated Mild CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000136722214 JG Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c4c2[C@@]2(CO4)C(=O)C(=O)C(OC)=CC2=C[C@@H](C)[C@H]1C)OCO3 ZINC000136783415 JG Annotated Mild CCCCCCCCC[C@H]1C[C@H]2CC[C@H]3[C@@H](C(=O)OCCCCN=C(N)N)[C@@H](C)N=C(N1)N32 ZINC000136913584 JG Annotated Mild CC1(C)C=COc2c(ccc3c2NC(=O)[C@@]32C[C@@]34CN5CCCC[C@]5(C[C@@H]3C2(C)C)C(=O)N4)O1 ZINC000136945412 JG Annotated Anodyne CN(C(=O)c1ccc(Cl)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)c1)c1ccccc1 ZINC000137016241 JG Annotated Anodyne CC(C)(c1ccccc1)S(=O)(=O)c1ccc(F)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)c1 ZINC000137020133 JG Annotated Anodyne C=C1[C@H]2C[C@H]2[C@]2(C)C[C@@]3([C@@]45C[C@@]6(C)[C@@H]7C[C@@H]7C(=C)[C@@H]6[C@@H](O)C4=C(C)C(=O)O5)OC(=O)C(C)=C3[C@H](O)[C@@H]12 ZINC000137020360 JG Annotated Mild CC(C)(C)[C@@H](CO)N/C=C1\C=C(I)C=C(I)C1=O ZINC000137155818 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000137393015 JG Annotated Mild C#C[C@@H]1O[C@@H]2C[C@H]1O[C@@H]2[C@@H](Br)[C@@H]1O[C@H](CC)[C@@H](Br)C[C@H]1Br ZINC000137409780 JG Annotated Reactive COc1ccc(-c2csc(-n3[nH]c(C)c([C@@H](c4ccccc4)[C@@H](C#N)C(N)=O)c3=O)n2)cc1 ZINC000137457867 JG Annotated Mild COc1ccc(-c2csc(-n3[nH]c(C)c([C@H](c4ccccc4)[C@@H](C#N)C(N)=O)c3=O)n2)cc1 ZINC000137457915 JG Annotated Mild C[C@H]1C[C@@]2(O[C@@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)[C@H](O)C[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000137553470 JG Annotated Anodyne N=c1oc2ccccc2cc1C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000137757650 JG Annotated Anodyne C[C@H](O)c1cc2c(cc1NC(=O)C1=CNN3C1=N[C@@H](c1ccco1)C[C@H]3C(F)(F)F)OCO2 ZINC000137781298 JG Annotated Anodyne C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23[C@H](O)/C=C/[C@](C)(O)C1 ZINC000137797885 JG Annotated Anodyne COc1cc(NC(C)=O)c(I)cc1C(=O)NCCCCN1C[C@H]2CC[C@H]1C2 ZINC000137819715 JG Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@@H](C)CCC[C@@H](O)/C=C/C(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000137867395 JG Annotated Mild C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@@]21C ZINC000137892503 JG Annotated Mild CC1=C(CCO[P@@](=O)(O)OP(=O)(O)O)S/C(=C(/O)C(C)C)N1Cc1cnc(C)nc1N ZINC000138025194 JG Annotated Anodyne in-vitro CC(=O)O[C@H]1[C@H](OC(C)=O)C2=C(C)C(=O)O[C@@]2(O)C/C(C)=C/CC[C@@H](C)[C@@H]2CC[C@@]1(C)O2 ZINC000138046092 JG Annotated Anodyne CCCCCCCCO[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Br ZINC000138060217 JG Annotated Mild CC1=C(CO)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000138121188 JG Annotated Mild CC1=C(CO)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4CC=C5C(=O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000138121435 JG Annotated Mild CCCS(=O)(=O)Nc1nc2ccccc2nc1Nc1cc(OC)ccc1CCS(C)(=O)=O ZINC000138132219 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000138185095 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000138185692 JG Annotated Anodyne C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@H]([C@H](C)O)[C@@H](O)[C@@H]3O)c21 ZINC000138232744 JG Annotated Bother Cc1nnc2nc(SCC(=O)NCc3ccco3)n(-c3ccc(Br)cc3)c(N)c1-2 ZINC000138391075 JG Annotated Anodyne COC(=O)C[C@H]1O[C@@H]2C[C@@]3(C)[C@H](c4ccoc4)C[C@H]4O[C@]43[C@]3(C)OC(=O)C[C@@H](C(C)(C)O)[C@@]1(C)[C@@H]23 ZINC000138477446 JG Annotated Anodyne CC1=C(CO)C[C@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC1=O ZINC000138566225 JG Annotated Anodyne C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000138569546 JG Annotated Mild C=C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O[C@@H]5OC[C@@H](OC(C)=O)[C@@H](O)[C@@H]5O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000138570547 JG Annotated Mild C=C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O[C@@H]5OC[C@@H](O)[C@@H](OC(C)=O)[C@@H]5O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000138570675 JG Annotated Mild C=C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O[C@@H]5OC[C@@H](OC(C)=O)[C@H](O)[C@H]5O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000138570917 JG Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000138576795 JG Annotated Anodyne C=C(C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000138625664 JG Annotated Mild COC(=O)c1cc(C(=CCCc2nnn(C)n2)c2cc(C)c(OC)c(C(=O)OC)c2)cc(C)c1OC ZINC000138641242 JG Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C/[C@@](C)(O)C(=O)[C@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000138645113 JG Annotated Anodyne C[C@@H]1C(=O)[C@@]2(C)CC[C@]34CC5=COC(C)(C)C5=CC=C3C(=O)[C@@]3(O[C@@H]5[C@H](C)C(=O)O[C@@H]5[C@@H]1[C@@H]23)O4 ZINC000138746505 JG Annotated Mild CC(C)(C)[C@H](CO)N/C=C1/C=C(I)C=C(I)C1=O ZINC000138846946 JG Annotated Mild CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(Br)cc1)C(=O)NCCOC ZINC000138955272 JG Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(Br)cc1)C(=O)NCCOC ZINC000138955398 JG Annotated Anodyne COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN(C)C)nc2N)cc1I ZINC000139141030 JG Annotated Anodyne C=CC(C)(C)[C@@]1(C[C@@H]2NC(=O)[C@]3(OC)CCCN3C2=O)C(=O)Nc2c1ccc1c2C=CC(C)(C)O1 ZINC000139219840 JG Annotated Mild C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@H]1C[C@@](C)(O)[C@](C)(O)[C@H](O)O1 ZINC000139341344 JG Annotated Mild O=C1c2c(O)cc(O)cc2[C@@H]2CC(/C=C/c3cc(O)cc(O)c3)=C[C@H](c3cc(O)c(O)c(O)c3)[C@@]12O ZINC000139358914 JG Annotated Clean CO[C@@H]1OC2=C(C3=C1C(=O)CC3)[C@@]1(Cc3ccc(cc3)Oc3cc(ccc3O)CCOC1=O)OC2=O ZINC000139415121 JG Annotated Mild COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@]21N=C(N)N(CCC(=O)OC(C)C)C1=O ZINC000139434026 JG Annotated Mild COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21N=C(N)N(CCC(=O)OC(C)C)C1=O ZINC000139434146 JG Annotated Mild CCC(=S)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@H](OC)C2)CC1 ZINC000139470273 JG Annotated Anodyne CC1(C)C[C@@H]2C[C@@]3(O)CC(=O)C(CC[C@@]4(O)C(=O)[C@H]5O[C@]56C[C@H]5CC(C)(C)C[C@H]5[C@]46C(=O)O)=C3[C@@H]2C1 ZINC000139473881 JG Annotated Mild CN1CCC(O)(C#Cc2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)CC1 ZINC000139521574 JG Annotated Mild Nc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1CO ZINC000139680471 JG Annotated Anodyne Cn1c(CO)cnc1C#Cc1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000139680748 JG Annotated Mild CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C ZINC000139716074 JG Annotated Mild COc1ccc(C(=O)Cc2c(Br)cncc2Br)n2nc(C3(CO)CC3)nc12 ZINC000139763570 JG Annotated Anodyne N#Cc1ccc(N2CCN(c3cccc(C(=O)NC4[C@H]5CC6C[C@H]4CC(O)(C6)C5)n3)CC2)cc1F ZINC000139800968 JG Annotated Mild C=C1[C@@H](OC(C)=O)C[C@H]2C(C)(C)[C@@H](Cl)[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O ZINC000139808677 JG Annotated Reactive CO[C@H]1CC/C=C(\C)C(=O)Nc2cc(O)cc(c2)[C@H](O)[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1O ZINC000139819818 JG Annotated Anodyne C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H]1C[C@](C)(O)[C@@](C)(O)[C@H](O)O1 ZINC000139832626 JG Annotated Mild O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 ZINC000139916421 JG Annotated Anodyne Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)c1C ZINC000014358469 JG Annotated Anodyne Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)c1C ZINC000014358471 JG Annotated Anodyne O=C1C=C2O[C@@H](c3ccc(O)cc3)[C@]3(O)c4cc(O)cc(O)c4[C@H](c4ccc(O)cc4)[C@@H]4O[C@]23C4=C1 ZINC000014441255 JG Annotated Mild CCc1cc(-c2nnc(-c3cc(C)nc(CC(C)C)c3)o2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000140008279 JG Annotated Anodyne CCC(=O)[C@@H](C)C(=O)[C@@](C)(Cc1ccc(OC)c2nc3c(C(=O)O)cccc3nc12)C(=O)OC ZINC000140070911 JG Annotated Bother C[C@H]1CCN2C[C@]34C[C@@]5(C(=O)Nc6c7c(cc(O)c65)OC(C)(C)C=CO7)C(C)(C)[C@@H]3C[C@]12C(=O)N4C ZINC000140131708 JG Annotated Anodyne CC[C@H](C)C(=O)O[C@H]1C[C@](C)(O)[C@](C)(CCC2=CC(=O)OC2)[C@H]2CCC[C@]3(CO3)[C@]12C(=O)O ZINC000140197117 JG Annotated Anodyne O=S(=O)(c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1)N1CCOCC1 ZINC000140214959 JG Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)[C@](C)([C@@H]2C[C@H]3C[C@H](O)O[C@H]3O2)[C@H]2CCC[C@]3(CO3)[C@]12COC(=O)C(C)C ZINC000140241281 JG Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)[C@](C)([C@@H]2C[C@H]3C[C@@H](O)O[C@H]3O2)[C@H]2CCC[C@]3(CO3)[C@]12COC(=O)C(C)C ZINC000140241431 JG Annotated Anodyne C#C[C@@H](Br)O[C@H]1C[C@@H](O)[C@@H](C[C@H](OC(C)=O)[C@@H](Br)C/C=C/CC)O1 ZINC000140388541 JG Annotated Reactive CCN(C)C(=O)c1ccc(CNc2nc(NCCN(C)C)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000140391675 JG Annotated Anodyne C#C[C@H](Br)[C@H]1C[C@@H](OC(C)=O)[C@@H](C[C@H](O)[C@H](Br)C/C=C/CC)O1 ZINC000140468757 JG Annotated Reactive CC(=O)O[C@H]1[C@H](C(C)(C)OC(C)=O)[C@@H]2[C@@H]([C@@H]3C/C(C)=C\CC[C@@](C)(OC(C)=O)[C@H]2O3)[C@]2(C)O[C@H]12 ZINC000140506282 JG Annotated Anodyne COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OC[C@@](C)(O)C(=O)O ZINC000140525002 JG Annotated Anodyne COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OC[C@](C)(O)C(=O)O ZINC000140525180 JG Annotated Anodyne COc1cc(-n2cnn3cc(-c4ncc(Cl)cn4)cc3c2=O)ccc1OCC1(O)CC(F)(F)C1 ZINC000140525725 JG Annotated Anodyne CC[C@@H](C)[C@H]1C=C[C@H]2[C@H](O)[C@H](OC(=O)/C=C(\C)CC(=O)O)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CCO ZINC000140578830 JG Annotated Anodyne COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCC(C)(C)OC(=O)CN ZINC000140581738 JG Annotated Anodyne CCCC(=O)O[C@@H]1CC/C(C)=C\[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@H](OC(C)=O)[C@H]2[C@@H](C)C(=O)C=C[C@@]21C ZINC000140602016 JG Annotated Mild CC(C)(C)[C@@H](CO)N/C=C1/C=C(I)C=C(I)C1=O ZINC000140604269 JG Annotated Mild Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(=O)N3CCNC(=O)C3)s2)c1 ZINC000140681135 JG Annotated Anodyne Cc1onc(-c2cccc(Cl)c2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000140897684 JG Annotated Anodyne CO[C@H]1C[C@@]2(CC[C@]3(O2)[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]2CC(=O)[C@]3(C)OC(C)=O)CO1 ZINC000141111682 JG Annotated Anodyne CO[C@@H]1C[C@@]2(CC[C@]3(O2)[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]2CC(=O)[C@]3(C)OC(C)=O)CO1 ZINC000141111874 JG Annotated Anodyne COCCOCCN1C[C@H](C(C)C)N(c2ccn3ncc(-c4ccc(-c5nc[nH]n5)cc4)c3n2)C1=O ZINC000141223330 JG Annotated Anodyne CC(C)[C@H]1CN(CC2CCNCC2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000141223448 JG Annotated Anodyne O=C(c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1)N1CCS(=O)(=O)CC1 ZINC000141398549 JG Annotated Anodyne CCOC(=O)N1CCC(Nc2ncc3cc(Oc4ccc(F)cc4F)c(=O)n(C)c3n2)CC1 ZINC000141418579 JG Annotated Anodyne CC1=C(C)[C@@H]([C@H]2O[C@@]3(O)C[C@@H]4c5c(O)cccc5[C@H](O)C[C@H]4[C@@H]4CC[C@@](O)([C@@H]2C)[C@]43C)OC1=O ZINC000141486822 JG Annotated Anodyne N=C(N)COc1cccc(CN2C[C@H]3[C@H](NC(=O)c4ccc(Cl)s4)C=CC[C@H]3C2=O)c1 ZINC000141576087 JG Annotated Anodyne Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CNCCS(N)(=O)=O)s2)c1 ZINC000141736200 JG Annotated Anodyne C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@]1(O)C[C@@](C)(O)[C@](C)(O)CO1 ZINC000141779078 JG Annotated Mild COCC[C@@H](Oc1nc(-c2cc(OC)c(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141885844 JG Annotated Anodyne COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)cc(OC)c1OC1CCOCC1 ZINC000141902973 JG Annotated Anodyne COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ncccc3S2(=O)=O)cnc1OC ZINC000141996744 JG Annotated Anodyne Cc1nc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@H](N)CC3)cn1C ZINC000142069076 JG Annotated Anodyne Cc1nc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)cn1C ZINC000142069317 JG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(I)cn2)n1 ZINC000142131489 JG Annotated Anodyne Cc1ncc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@H](N)CC3)[nH]1 ZINC000142293687 JG Annotated Anodyne Cc1ncc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)[nH]1 ZINC000142293883 JG Annotated Anodyne Cc1ncc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@H](N)CC3)[nH]1 ZINC000142294088 JG Annotated Anodyne Cc1ncc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)[nH]1 ZINC000142294297 JG Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N1CCC1)CC2)S(=O)(=O)c1cn(C)cn1 ZINC000142302863 JG Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N1CCC1)CC2)S(=O)(=O)c1cn(C)cn1 ZINC000142303091 JG Annotated Anodyne CCN1CCN(c2nc(C)nc3c2nc(-c2ccccc2Cl)n3C(COC)COC)CC1 ZINC000142307260 JG Annotated Anodyne Cc1cccnc1-c1cc(N2CCC(C(=O)N3CC(S(=O)(=O)CC4CC4)C3)CC2)ncc1Cl ZINC000142320760 JG Annotated Anodyne COC12CC3C[C@@H](C1)C(Oc1cc(F)c(C(=O)NS(=O)(=O)N4CCC4)cc1Cl)[C@@H](C3)C2 ZINC000142351362 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(F)c2)[C@H](N2CCC2)CC3)c1 ZINC000142422079 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(F)c2)[C@@H](N2CCC2)CC3)c1 ZINC000142422294 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(F)c2)[C@H](N2CCC2)CC3)c1 ZINC000142422518 JG Annotated Anodyne Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccccc2)[C@@H](N2CCC2)CC3)cn1 ZINC000142546207 JG Annotated Anodyne Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccccc2)[C@H](N2CCC2)CC3)cn1 ZINC000142546365 JG Annotated Anodyne Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N2CCC2)CC3)cn1 ZINC000142546552 JG Annotated Anodyne Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@H](N2CCC2)CC3)cn1 ZINC000142546702 JG Annotated Anodyne C=CCc1cccc(/C=N/NC(=O)CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1O ZINC000142597297 JG Annotated Reactive CCN[C@@H]1CCc2ccc(CNS(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccc(F)cc1 ZINC000142598794 JG Annotated Anodyne CCN[C@H]1CCc2ccc(CNS(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccc(F)cc1 ZINC000142599012 JG Annotated Anodyne CCN[C@@H]1CCc2ccc(CNS(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccc(F)cc1 ZINC000142599170 JG Annotated Anodyne CCN[C@H]1CCc2ccc(CNS(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccc(F)cc1 ZINC000142599370 JG Annotated Anodyne CCCc1cccc(/C=N/NC(=O)CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1O ZINC000142783572 JG Annotated Reactive CO[C@@H]1C[C@@H](C(=O)N/C(N)=N/Cc2cc(Cl)c(NC(C)=O)c(Cl)c2)N(c2ccccc2)C1 ZINC000142835025 JG Annotated Anodyne CC(=O)Nc1c(Cl)cc(C/N=C(\N)NC(=O)[C@@H]2[C@@H]3C[C@@H]3CN2c2ccccc2)cc1Cl ZINC000142847068 JG Annotated Anodyne CC(=O)Nc1c(Cl)cc(C/N=C(\N)NC(=O)[C@@H]2[C@H]3C[C@@H]3CN2c2ccccc2)cc1Cl ZINC000142847498 JG Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(OCc3ncc(-c4ccccc4)o3)ccc1-2 ZINC000142889827 JG Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(OCc3ncc(-c4ccccc4)o3)ccc1-2 ZINC000142890027 JG Annotated Anodyne COc1c(NC(=O)N[C@@H]2Cc3c(F)cccc3[C@@H]2O)cc(N2CCOCC2)cc1[C@@H](O)C(F)(F)F ZINC000142911842 JG Annotated Clean N[C@@H]1CCc2ccc(OCCNS(=O)(=O)[C@@H]3CCNC3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142920902 JG Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)[C@H]3CCNC3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142921336 JG Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(-c3ccc(N4CCCCC4)nc3)ccc1-2 ZINC000142958325 JG Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(-c3ccc(N4CCCCC4)nc3)ccc1-2 ZINC000142958545 JG Annotated Anodyne CC(C)CCn1cc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)cn1 ZINC000143023442 JG Annotated Anodyne CC(C)CCn1cc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)cn1 ZINC000143023658 JG Annotated Anodyne CN(C)S(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N)CC2 ZINC000143034382 JG Annotated Anodyne CN(C)S(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N)CC2 ZINC000143034600 JG Annotated Anodyne CN(C)S(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N)CC2 ZINC000143034808 JG Annotated Anodyne CN(C)S(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N)CC2 ZINC000143035021 JG Annotated Anodyne CC(C)(C)c1cnc(COc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)o1 ZINC000143053840 JG Annotated Anodyne CC(C)(C)c1cnc(COc2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)o1 ZINC000143054032 JG Annotated Anodyne O=C(O)CSc1cc(NS(=O)(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1O ZINC000143085946 JG Annotated Clean C/C(=N\OCCO)c1ccc2nnc(Sc3ccc4ncc(N5CCC(O)CC5)cc4c3)n2c1 ZINC000143121315 JG Annotated Mild Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(F)c(C)c3)CC2)n1 ZINC000143136986 JG Annotated Anodyne CCN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000143172742 JG Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)[C@@H]3CCNC3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143211033 JG Annotated Anodyne C/C(=N\OCCO)c1ccc2nnc(Sc3ccc4ncc(N5CC[C@H](N(C)C)C5)cc4c3)n2c1 ZINC000143216226 JG Annotated Mild CN[C@@H]1CCc2ccc(CCNS(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000143238923 JG Annotated Anodyne CN[C@H]1CCc2ccc(CCNS(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000143239103 JG Annotated Anodyne CN[C@@H]1CCc2ccc(CCNS(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000143239313 JG Annotated Anodyne CN[C@H]1CCc2ccc(CCNS(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000143239528 JG Annotated Anodyne CN[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cnn(C)c3)cc2[C@@H]1Cc1ccccc1Cl ZINC000143239768 JG Annotated Anodyne CN[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cnn(C)c3)cc2[C@@H]1Cc1ccccc1Cl ZINC000143239982 JG Annotated Anodyne CN[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cnn(C)c3)cc2[C@H]1Cc1ccccc1Cl ZINC000143240198 JG Annotated Anodyne CN[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cnn(C)c3)cc2[C@H]1Cc1ccccc1Cl ZINC000143240409 JG Annotated Anodyne CN[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccccc1Cl ZINC000143249726 JG Annotated Anodyne CN[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccccc1Cl ZINC000143249928 JG Annotated Anodyne CN[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccccc1Cl ZINC000143250131 JG Annotated Anodyne CN[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccccc1Cl ZINC000143250343 JG Annotated Anodyne Cn1cc(-c2cc(OCCCc3nnn[nH]3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000143276949 JG Annotated Anodyne Cn1cc(-c2cc(OCCCc3nnn[nH]3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000143277148 JG Annotated Anodyne COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 ZINC000143350461 JG Annotated Anodyne COCOCCN1C(=O)CC[C@@H]1COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143354412 JG Annotated Anodyne COCOCCN1C(=O)CC[C@H]1COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143354643 JG Annotated Anodyne COCOCCN1C(=O)CC[C@@H]1COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143354844 JG Annotated Anodyne COCOCCN1C(=O)CC[C@H]1COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143355069 JG Annotated Anodyne O=C1CCCN1CCOc1cc(-c2cnn(CCO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143361135 JG Annotated Anodyne O=C1CCCN1CCOc1cc(-c2cnn(CCO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143361340 JG Annotated Anodyne CNS(=O)(=O)c1ccc(OCC(F)(F)F)c(Nc2ncnc3cc(OC)c(OC)cc23)c1 ZINC000143416761 JG Annotated Anodyne CC[C@@H]1C[C@]2(CC[C@H]1OC)Cc1ccc(C#N)cc1[C@]21N=C(N)N(CC2(F)CCOCC2)C1=O ZINC000143438811 JG Annotated Anodyne CC[C@@H]1C[C@]2(CC[C@H]1OC)Cc1ccc(C#N)cc1[C@]21N=C(N)N(CC2CCOCC2)C1=O ZINC000143441369 JG Annotated Anodyne c1cc2c(cc1[C@H]1OC[C@@H]3[C@@H](O[C@H]4OC[C@@H]5[C@@H](c6ccc7c(c6)OCO7)OC[C@H]45)OC[C@H]13)OCO2 ZINC000143445849 JG Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(CC2(F)CCOCC2)C3=O)C[C@H]1C ZINC000143465404 JG Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N1CCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000143483286 JG Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N1CCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000143483519 JG Annotated Anodyne COCC1(COC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(C)C3)c2cc(F)ccc2O1 ZINC000143495532 JG Annotated Anodyne CNS(=O)(=O)c1ccc(OCC(F)(F)F)c(Nc2ncnc3cc(OC)cc(OC)c23)c1 ZINC000143497436 JG Annotated Anodyne CCOC(=O)CN1CCC[C@H](NC(=O)c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)C1 ZINC000143527853 JG Annotated Anodyne CCOC(=O)CN1CCC[C@@H](NC(=O)c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)C1 ZINC000143528077 JG Annotated Anodyne O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@@H]1CC(CF)(CF)Oc2ccc(F)cc21 ZINC000143563662 JG Annotated Anodyne O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@@H]1CC(CF)(CF)Oc2c(F)cccc21 ZINC000143567201 JG Annotated Anodyne COC(=O)c1ccc([C@H]2C(C(C)=O)=C(OC(C)=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143605804 JG Annotated Mild COC(=O)c1ccc([C@@H]2C(C(C)=O)=C(OC(C)=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143606006 JG Annotated Mild COCC1(COC)C[C@@H](NC(=O)Nc2ccc3c(c2)N(C)C(=O)CC3)c2cc(F)ccc2O1 ZINC000143643566 JG Annotated Anodyne NC(=O)c1cn(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc12 ZINC000143798298 JG Annotated Anodyne CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)C1 ZINC000143808320 JG Annotated Anodyne COc1cc([C@H]2CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)ccn1 ZINC000143812080 JG Annotated Anodyne O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@@H]2CC[C@H](c3ccncc3O)CC2)C1 ZINC000143812318 JG Annotated Anodyne COc1cnccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000143813450 JG Annotated Anodyne CNC(=O)c1ccc(-c2nn[nH]n2)cc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C ZINC000143822218 JG Annotated Anodyne Cc1cc(S(=O)(=O)Nc2cc(C#Cc3c(C)ncnc3N3CCOCC3)cnc2C)c(C)s1 ZINC000143849145 JG Annotated Mild Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000143850826 JG Annotated Mild O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@@H]2CC[C@H](c3ccc(O)cn3)CC2)C1 ZINC000143891767 JG Annotated Anodyne CC(C)(C)n1c(-c2cc(C#N)ccc2C(=O)NS(C)(=O)=O)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000143898087 JG Annotated Mild C[C@H](NC(=O)[C@@H]1C[C@H](N)CN1C(=O)Nc1cn(C(N)=O)c2ccccc12)c1cccc(Cl)c1 ZINC000143936559 JG Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](N)CN1C(=O)Nc1cn(C(N)=O)c2ccccc12)c1cccc(Cl)c1 ZINC000143948401 JG Annotated Anodyne Cn1nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)c(=O)n(Cc3ccc(C#N)cc3)n2c1=O ZINC000143973477 JG Annotated Mild C[C@@H]1CN(Cc2cn[nH]c2-c2ccc3c(c2)CNC(=O)C3)CCN1c1ccc(C(F)(F)F)cn1 ZINC000144000763 JG Annotated Anodyne C[C@@H]1CN(Cc2cn[nH]c2-c2ccc3c(c2)C(=O)NC(=O)C3)CCN1c1ccc(C(F)(F)F)cn1 ZINC000144000974 JG Annotated Anodyne O=C1Cc2ccc(-c3[nH]ncc3CN3CCCN(c4ccc(C(F)(F)F)cn4)CC3)cc2CN1 ZINC000144016326 JG Annotated Anodyne O=C1NCc2cc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2O1 ZINC000144017062 JG Annotated Anodyne C/C1=C/C(=O)OC[C@]23CC[C@]4(C)C[C@H]4[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C/C(=O)OCC1)[C@@]3(C)[C@]21CO1 ZINC000144020335 JG Annotated Anodyne O=c1[nH]c(=O)c2cc(-c3[nH]ncc3CN3[C@H]4CC[C@H]3CN(c3ccc(C(F)(F)F)cn3)C4)ccc2o1 ZINC000144037441 JG Annotated Anodyne Cc1nnc(CNC(=O)[C@@H](c2nc3cc(C)c(-c4ccccc4)cc3s2)S(C)(=O)=O)o1 ZINC000144052069 JG Annotated Anodyne Cc1nnc(CNC(=O)[C@H](c2nc3cc(C)c(-c4ccccc4)cc3s2)S(C)(=O)=O)o1 ZINC000144052281 JG Annotated Anodyne N#Cc1ccc2nc(NC3CC3)c(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)nc2c1 ZINC000144073599 JG Annotated Anodyne Cc1nnc(CNC(=O)[C@@H](c2nc3cc(F)c(-c4ccccc4)cc3s2)S(C)(=O)=O)o1 ZINC000144125905 JG Annotated Anodyne Cc1nnc(CNC(=O)[C@H](c2nc3cc(F)c(-c4ccccc4)cc3s2)S(C)(=O)=O)o1 ZINC000144126098 JG Annotated Anodyne C[C@@]12Cc3[nH]nc(C(=O)Nc4cnn([C@H](c5ccccc5)C5CCS(=O)(=O)CC5)c4)c3C[C@@H]1C2 ZINC000144146651 JG Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CC2(O)CCN(C[C@@H](O)CO)CC2)cc1 ZINC000144162749 JG Annotated Anodyne CN1CCN(CCCN(C)C(=O)c2cc3cc(Nc4nccc(-c5ccccn5)n4)ccc3[nH]2)CC1 ZINC000144209435 JG Annotated Anodyne CN1C(=O)COCC12CCN(C(=O)c1cc3cc(Nc4nccc(-c5ccccn5)n4)ccc3[nH]1)CC2 ZINC000144237709 JG Annotated Anodyne O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@@H]1CC(CF)(CF)Oc2cc(F)ccc21 ZINC000144276555 JG Annotated Anodyne CN(C)C(=O)c1cc2ccc(Nc3nccc(-c4cc(O[C@H]5CCC(=O)NC5)ccn4)n3)cc2n1C ZINC000144296580 JG Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c(Cl)c1 ZINC000144332231 JG Annotated Anodyne COc1ccc(OC2CCN(c3nc4c(C(=O)N(C)C)nccc4nc3NC3CC3)CC2)c(F)c1 ZINC000144344926 JG Annotated Anodyne CC(C)Nc1nc2cc(C(=O)N(C)C)ncc2nc1N1CCN(Cc2ccc(F)cc2F)CC1 ZINC000144396774 JG Annotated Anodyne CN(C)C(=O)c1cc2nc(NC3CC3)c(N3CCN(C(=O)c4cc(F)ccc4Cl)CC3)nc2cn1 ZINC000144420726 JG Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccccc2-c2cc(C(F)F)no2)C3=O)cn1 ZINC000144428816 JG Annotated Anodyne CN(Cc1ccc(-c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)c(Cl)c1)C(=O)CCCN ZINC000144453898 JG Annotated Anodyne N#Cc1ccc2nc(NC3CC3)c(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2c1 ZINC000144464256 JG Annotated Anodyne O=C(c1cc(Cl)ccc1-n1nccn1)N1C[C@H]2C[C@@H](C1)N(c1ncc3cc(F)ccc3n1)C2 ZINC000144470362 JG Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccccc2-c2cc(C)ns2)C3=O)cn1 ZINC000144500876 JG Annotated Anodyne COCCOc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)c(=O)c2c1 ZINC000144562805 JG Annotated Anodyne N#CC1(N[C@@H]2CCc3ccc(CNS(=O)(=O)C4CCC4)cc3[C@H]2Cc2ccccc2)COC1 ZINC000144598015 JG Annotated Mild N#CC1(N[C@H]2CCc3ccc(CNS(=O)(=O)C4CCC4)cc3[C@H]2Cc2ccccc2)COC1 ZINC000144598240 JG Annotated Mild N#CC1(N[C@@H]2CCc3ccc(CNS(=O)(=O)C4CCC4)cc3[C@@H]2Cc2ccccc2)COC1 ZINC000144598416 JG Annotated Mild N#CC1(N[C@H]2CCc3ccc(CNS(=O)(=O)C4CCC4)cc3[C@@H]2Cc2ccccc2)COC1 ZINC000144598598 JG Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](C[C@H](O)[C@]3(C)Oc4cc(O)c5c(c4C[C@H]23)C[C@H](C)OC5=O)C(C)(C)C1=O ZINC000144600021 JG Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccccc2-c2csc(C)n2)C3=O)cn1 ZINC000144635712 JG Annotated Anodyne N#CC1(N[C@@H]2CCc3ccc(CNS(=O)(=O)CC4CC4)cc3[C@H]2Cc2ccccc2)COC1 ZINC000144647853 JG Annotated Mild N#CC1(N[C@H]2CCc3ccc(CNS(=O)(=O)CC4CC4)cc3[C@H]2Cc2ccccc2)COC1 ZINC000144648058 JG Annotated Mild N#CC1(N[C@@H]2CCc3ccc(CNS(=O)(=O)CC4CC4)cc3[C@@H]2Cc2ccccc2)COC1 ZINC000144648263 JG Annotated Mild N#CC1(N[C@H]2CCc3ccc(CNS(=O)(=O)CC4CC4)cc3[C@@H]2Cc2ccccc2)COC1 ZINC000144648479 JG Annotated Mild Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N2C[C@H]4C[C@H]4C2)CC3)c1 ZINC000144663639 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@H](N2C[C@H]4C[C@H]4C2)CC3)c1 ZINC000144663851 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@@H](N2C[C@H]4C[C@H]4C2)CC3)c1 ZINC000144664055 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@H](N2C[C@H]4C[C@H]4C2)CC3)c1 ZINC000144664278 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@H](N2C[C@H]4C[C@@H]4C2)CC3)c1 ZINC000144664549 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@H](N2C[C@@H]4C[C@H]4C2)CC3)c1 ZINC000144664760 JG Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc([C@@](C)(O)CO)nc3)cc(-c3ccccn3)c2s1 ZINC000144687260 JG Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc([C@](C)(O)CO)nc3)cc(-c3ccccn3)c2s1 ZINC000144687448 JG Annotated Anodyne CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](NC1(C#N)COC1)CC2 ZINC000144707956 JG Annotated Mild CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](NC1(C#N)COC1)CC2 ZINC000144708158 JG Annotated Mild CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](NC1(C#N)COC1)CC2 ZINC000144708358 JG Annotated Mild CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](NC1(C#N)COC1)CC2 ZINC000144708550 JG Annotated Mild CCNC(=O)Nc1nc2cc(-c3cnc([C@@H](O)[C@@H](C)O)nc3)cc(-c3ccccn3)c2s1 ZINC000144716870 JG Annotated Anodyne Nc1ncnc2c1C(=O)N(c1ccc(-c3ccc(Cn4cccnc4=O)cc3Cl)cc1)CCO2 ZINC000144794140 JG Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCC(C)(O)CC4)cc3)nc(N[C@@H]3CC[C@H](N)CC3)c2c1=O ZINC000144802798 JG Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CCC[C@@H]3CO)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144832537 JG Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CCC[C@@H]3CO)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144832714 JG Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CCC[C@H]3CO)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144832898 JG Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CCC[C@H]3CO)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144833082 JG Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CC[C@@H](CO)C3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144833287 JG Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CC[C@@H](CO)C3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144833477 JG Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CC[C@H](CO)C3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144833682 JG Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CC[C@H](CO)C3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144833902 JG Annotated Anodyne CC(=O)N(C)C[C@@H](O)COc1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144868519 JG Annotated Anodyne CC(=O)N(C)C[C@@H](O)COc1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144868738 JG Annotated Anodyne CC(=O)N(C)C[C@H](O)COc1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144868960 JG Annotated Anodyne CC(=O)N(C)C[C@H](O)COc1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144869159 JG Annotated Anodyne CN(CCOc1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)C(=O)C(C)(C)O ZINC000144869362 JG Annotated Anodyne CN(CCOc1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)C(=O)C(C)(C)O ZINC000144869575 JG Annotated Anodyne OCCn1cc(-c2cc(-c3cnn(CCO)c3)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 ZINC000144898383 JG Annotated Anodyne OCCn1cc(-c2cc(-c3cnn(CCO)c3)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 ZINC000144898582 JG Annotated Anodyne CNc1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)c(C)c12 ZINC000144968650 JG Annotated Mild C[N+](C)(C)[C@@H](Cc1c[nH]c2cc(I)c(I)cc12)C(=O)O ZINC000014513920 JG Annotated Mild C[N+](C)(C)[C@@H](Cc1c[nH]c2c(I)cc(I)cc12)C(=O)O ZINC000014513925 JG Annotated Mild C[N+](C)(C)[C@@H](Cc1c[nH]c2c(I)c(I)ccc12)C(=O)O ZINC000014513931 JG Annotated Mild CC1=CC(=O)[C@]2(O1)c1c(cc(/C=C/c3ccc(O)c(O)c3)oc1=O)O[C@@H]2c1ccc(O)c(O)c1 ZINC000014555354 JG Annotated Mild CC1=CC(=O)[C@@]2(O1)c1c(cc(/C=C/c3ccc(O)c(O)c3)oc1=O)O[C@@H]2c1ccc(O)c(O)c1 ZINC000014555357 JG Annotated Mild CC1=CC(=O)[C@]2(O1)c1c(cc(/C=C/c3ccc(O)c(O)c3)oc1=O)O[C@H]2c1ccc(O)c(O)c1 ZINC000014555360 JG Annotated Mild CC1=CC(=O)[C@@]2(O1)c1c(cc(/C=C/c3ccc(O)c(O)c3)oc1=O)O[C@H]2c1ccc(O)c(O)c1 ZINC000014555363 JG Annotated Mild in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1c2cc3c(c4c2[C@@]2(CO4)C(=O)C(=O)C(OC)=CC2=C[C@@H](C)[C@H]1C)OCO3 ZINC000014556138 JG Annotated Mild C=C(C)[C@H](O)Cc1c(O)c(Cc2c(O)c(C(C)=O)c(O)c(C)c2OC)c(O)c(C(C)=O)c1O ZINC000014585776 JG Annotated Mild C=C(C)[C@@H](O)Cc1c(O)c(Cc2c(O)c(C(C)=O)c(O)c(C)c2OC)c(O)c(C(C)=O)c1O ZINC000014585778 JG Annotated Mild COc1ccc([C@@H](OC(C)=O)[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(C=O)c1OC ZINC000014612468 JG Annotated Anodyne C=CC(C)(C)[C@]1(C[C@@H]2NC(=O)[C@]3(OC)CCCN3C2=O)C(=O)Nc2c1ccc1c2C=CC(C)(C)O1 ZINC000014615690 JG Annotated Mild C=CC(C)(C)[C@]1(C[C@@H]2NC(=O)[C@@]3(OC)CCCN3C2=O)C(=O)Nc2c1ccc1c2C=CC(C)(C)O1 ZINC000014615691 JG Annotated Mild COc1cc(C[C@H](CO)[C@H](COC(C)=O)Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000014616727 JG Annotated Anodyne in-vitro biogenic CC1=CC(=O)N2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]12C(=O)N4C ZINC000014637276 JG Annotated Anodyne COc1cc([C@H]2c3cc(OC(C)=O)c(OC)cc3C[C@@H]3[C@@H](OC)OC[C@H]23)ccc1OC(C)=O ZINC000014641805 JG Annotated Anodyne COc1cccc(/C=C/C=C/C=C/C=C/C=C/[C@H](O)CC(=O)NCCC(=O)O)c1NC(C)=O ZINC000014654261 JG Annotated Anodyne COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@@]23O)c(C)c1Cl ZINC000014681086 JG Annotated Reactive in-man endogenous COc1cc(O)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@@]23O)c(C)c1Cl ZINC000014681088 JG Annotated Reactive in-man endogenous COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@@]23O)c(C)c1Cl ZINC000014681089 JG Annotated Reactive in-man endogenous COc1cc(O)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@@]23O)c(C)c1Cl ZINC000014681091 JG Annotated Reactive in-man endogenous O=CN1CCCCN(C(=O)/C=C/c2ccccc2)CCCNC(=O)C[C@@H](c2ccccc2)NCCC1 ZINC000014681416 JG Annotated Anodyne CC[C@@H](C)/C=C/C=C/C(=O)c1cc2c(c(C(=O)OC)c1O)[C@](C)(O)C(=O)C=C2CC(=O)C[C@H](C)O ZINC000014691761 JG Annotated Mild CC(C)=CCC/C(C)=C/CC[C@@]1(C)Oc2c(c(O)cc3c2CN([C@@H](CO)C(=O)O)C3=O)C[C@H]1O ZINC000014710450 JG Annotated Anodyne Oc1cc(O)c(-c2c(O)cc(O)c(-c3c(O)cc(O)c(-c4c(O)cc(O)cc4O)c3O)c2O)c(O)c1 ZINC000014722788 JG Annotated Anodyne CC[C@@H](C)CC(=O)O[C@@H]1C=C2C(COC(=O)CC(C)(C)O)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@@]12CO2 ZINC000014771223 JG Annotated Anodyne in-man endogenous CC[C@H](C)CC(=O)O[C@@H]1C=C2C(COC(=O)CC(C)(C)O)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@@]12CO2 ZINC000014771228 JG Annotated Anodyne in-man endogenous CC[C@@H](C)CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)(C)O)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@@]12CO2 ZINC000014771232 JG Annotated Anodyne in-man endogenous CC[C@H](C)CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)(C)O)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@@]12CO2 ZINC000014771236 JG Annotated Anodyne in-man endogenous Cc1oc2nc1C(=O)N[C@H](C)c1nc(cs1)C(=O)N[C@H](C(C)C)c1nc(cs1)C(=O)N[C@@H]2C ZINC000014827948 JG Annotated Anodyne in-vitro COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@@H](O)[C@@]34O[C@@](OC)(CC[C@@]3(C)[C@@H]1C2)OC4(C)C ZINC000014858235 JG Annotated Anodyne in-man COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@@H](O)[C@@]34O[C@@](OC)(CC[C@@]3(C)[C@H]1C2)OC4(C)C ZINC000014858236 JG Annotated Anodyne in-man COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](O)[C@@]34O[C@@](OC)(CC[C@@]3(C)[C@@H]1C2)OC4(C)C ZINC000014858237 JG Annotated Anodyne in-man COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](O)[C@@]34O[C@@](OC)(CC[C@@]3(C)[C@H]1C2)OC4(C)C ZINC000014858238 JG Annotated Anodyne in-man COC(=O)CC[C@]1(C)[C@@H]2Cc3c(c(C)c4c(c3OC)C(=O)OC4)O[C@@]2(C)C[C@@H](O)[C@@H]1C(C)(C)O ZINC000014858255 JG Annotated Anodyne in-man endogenous COC(=O)CC[C@]1(C)[C@@H](C(C)(C)O)[C@H](O)C[C@]2(C)Oc3c(C)c4c(c(OC)c3C[C@@H]21)C(=O)OC4 ZINC000014858256 JG Annotated Anodyne in-man endogenous COC(=O)CC[C@@]1(C)[C@@H](C(C)(C)O)[C@H](O)C[C@]2(C)Oc3c(C)c4c(c(OC)c3C[C@@H]21)C(=O)OC4 ZINC000014858257 JG Annotated Anodyne in-man endogenous NCCc1cc(Br)c(OCCCN/C=C2\C(=O)C[C@H](Cl)C2=O)c(Br)c1 ZINC000014884327 JG Annotated Reactive Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cc(Cl)ccc2NS(C)(=O)=O)n1C ZINC000014944754 JG Annotated Anodyne COc1cccc(-n2ncc3c(N/N=C/c4ccc(NC(=O)CCN(C)C)cc4)ncnc32)c1 ZINC000014946195 JG Annotated Mild CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c(OCCCCN4C(=O)c5ccccc5C4=O)ccc(c23)C1 ZINC000014947228 JG Annotated Anodyne C[C@@H](C(=O)N1CCCCC1)N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O ZINC000014950130 JG Annotated Anodyne Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)CC2CCCCC2)c1 ZINC000014952282 JG Annotated Mild C=C1[C@@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C\[C@H]3[C@H]1O ZINC000014953778 JG Annotated Mild CC1=C(C)[C@H](O)[C@H]2/C=C/C[C@@H](C)C[C@](C)(O)/C=C\[C@H](O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]13 ZINC000014953928 JG Annotated Anodyne in-man biogenic CC1=C(C)[C@H](O)[C@H]2/C=C/C[C@H](C)C[C@](C)(O)/C=C\[C@H](O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]13 ZINC000014953932 JG Annotated Anodyne in-man biogenic COC(=O)[C@@H]1C[C@@]23C(=O)N4C=C(CCC5=C2[C@@H]1CC5)[C@]3(COC(C)=O)[C@H](OC(C)=O)CC[C@H](C)C4 ZINC000014955507 JG Annotated Anodyne CN(C)CCOCCOc1cc(N2CCCC2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl ZINC000014956162 JG Annotated Mild Cc1oc2nc1C(=O)N[C@H](C(C)C)c1nc(cs1)C(=O)N[C@H](C)c1nc(cs1)C(=O)N[C@@H]2C ZINC000014959907 JG Annotated Anodyne in-vitro CNCC(=O)NCCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl ZINC000014961564 JG Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccccc2NCCCN2CCCC2=O)ccc2c1CCCC2 ZINC000014964561 JG Annotated Anodyne CCN(CC)CC(=O)Nc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964671 JG Annotated Anodyne CCN(CC)CCNC(=O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964790 JG Annotated Anodyne CCN(C/C=C\c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2)CCO ZINC000014964890 JG Annotated Anodyne COc1c(-c2cnc[nH]2)ccc(NS(=O)(=O)c2ccc(F)cc2Br)c1C(=O)O ZINC000014965075 JG Annotated Anodyne CCc1ccc(NS(=O)(=O)c2ccc(F)cc2CCCN(CC)CC)c(C(=O)O)c1OCCN ZINC000014965111 JG Annotated Anodyne CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](NC(=O)C(C)C)CC[C@@]45C[C@@]35C(=O)C[C@]12C ZINC000014969937 JG Annotated Anodyne COc1cc(Cn2cnc3c(Br)nc(N)nc32)c(Br)c(OC)c1OC ZINC000014974561 JG Annotated Anodyne O=C(O)CCCN1C(=O)[C@@]2(CC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2cc(Cl)ccc21 ZINC000014976589 JG Annotated Anodyne O=C(O)CCCN1C(=O)[C@]2(CC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2cc(Cl)ccc21 ZINC000014976592 JG Annotated Anodyne Cc1noc(-c2ccccc2)c1CN1C[C@@]2(CC1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12 ZINC000014976807 JG Annotated Anodyne Cc1noc(-c2ccccc2)c1CN1C[C@]2(CC1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12 ZINC000014976810 JG Annotated Anodyne C[C@@H]1CCN(C(=O)Nc2nc3c(s2)-c2nc(C(C)(C)C(F)(F)F)ncc2CC3)[C@@H]1C(N)=O ZINC000145001301 JG Annotated Anodyne CC(=O)N(C)Cc1ccc(-c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)c(Cl)c1 ZINC000145222765 JG Annotated Anodyne CO[C@]12O[C@]3(C)C(=O)C(Cl)=C4C=C(/C=C/[C@@H](C)[C@@H](C)O)OC=C4[C@@H]3[C@H]1C(=O)O[C@H](C)[C@H]2C ZINC000145280608 JG Annotated Mild CC[C@H]1O[C@]2(C)[C@@H](O)[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)O[C@]1(C)[C@@H]2OC(C)=O ZINC000145305345 JG Annotated Anodyne CC(=O)OC[C@H](Br)[C@]1(C)CC=C2[C@H](C1)[C@@H](O)C[C@@H]1[C@]2(C)C[C@H](OC(C)=O)[C@H]2C[C@]21CO ZINC000145333584 JG Annotated Reactive CCCCCCCCCCC[C@@H]1N=C(N)N[C@@]2(CCCO2)[C@@H]1C(=O)OCCCCCN=C(N)N ZINC000145400503 JG Annotated Mild COCCS(=O)(=O)[C@@H](C(=O)NCc1nnc(C)o1)c1nc2ccc(-c3ccccc3)cc2s1 ZINC000145488974 JG Annotated Anodyne O=C(CN1C(=O)CNC1=O)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145489057 JG Annotated Anodyne COCCS(=O)(=O)[C@H](C(=O)NCc1nnc(C)o1)c1nc2ccc(-c3ccccc3)cc2s1 ZINC000145489187 JG Annotated Anodyne O=C(CN1C(=O)CNC1=O)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145489254 JG Annotated Anodyne Cc1ccccc1[C@@H]1CCc2cc(Oc3ncc(CNC(=O)CN4C(=O)CNC4=O)s3)ccc2O1 ZINC000145592982 JG Annotated Anodyne Cc1ccccc1[C@H]1CCc2cc(Oc3ncc(CNC(=O)CN4C(=O)CNC4=O)s3)ccc2O1 ZINC000145593171 JG Annotated Anodyne C[C@@H]1CN(CC2(c3cccnc3)CC2)CCN1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1 ZINC000145619086 JG Annotated Anodyne Cc1ccc(NC(=O)Nc2ccc(-c3nsc(NC(=O)NCCCO)c3C(N)=O)cc2)cc1 ZINC000145703373 JG Annotated Anodyne CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@@H]2C[C@]3(CO3)C[C@@](C)(O)O2)O[C@@H]1C ZINC000145836645 JG Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 ZINC000146289580 JG Annotated Anodyne C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](C[C@@H](C)[C@@H](OC(=O)CCC)[C@@H]24)[C@@H](C)CO[C@@]3(C)[C@H](OC(C)=O)C[C@H]1O ZINC000146457716 JG Annotated Mild CN1CCN(Cc2ccc([C@@H]3CC[C@H](Oc4nc(-c5ccncn5)cc(=O)n4C)CC3)cc2)CC1 ZINC000146500541 JG Annotated Anodyne Cn1c(OC2CCN(c3ccccc3CN3CCCCC3)CC2)nc(-c2ccncn2)cc1=O ZINC000146502014 JG Annotated Anodyne CN1CCN(Cc2ccc([C@@H]3CC[C@@H](Oc4nc(-c5ccncn5)cc(=O)n4C)CC3)cc2)CC1 ZINC000146519422 JG Annotated Anodyne Cn1c(OC2CCN(c3ccc(CN4CCCC4=O)cc3)CC2)nc(-c2ccncc2F)cc1=O ZINC000146582820 JG Annotated Clean Cc1cnc(-c2c(Cl)cnc(N3CCC(NC(=O)CCS(C)(=O)=O)CC3)c2F)c(C)c1 ZINC000146824701 JG Annotated Anodyne Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCN(c4ccc(O)nn4)CC3)CC2)ncc1Cl ZINC000146859391 JG Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ncnc2c1CCN(S(=O)(=O)Nc1ncc(F)s1)C2 ZINC000146886363 JG Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ncnc2c1CCN(S(=O)(=O)Nc1nccs1)C2 ZINC000146943714 JG Annotated Anodyne CCCCCC(=O)OC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1OC(=O)CCCCC ZINC000147023973 JG Annotated Anodyne CC1(C)C[C@@](O)([C@H](O)[C@H]2[C@H]3[C@](C)(C[C@H]2O)[C@@H](Br)CC[C@@]3(C)O)CC[C@@H]1Br ZINC000147042614 JG Annotated Reactive COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN(C)C)cc2)CC3)cc1 ZINC000147151764 JG Annotated Anodyne COCCCN1C[C@H](C)N(C(=O)N2Cc3c(NC(=O)c4oc(C)cc4C)n[nH]c3C2(C)C)C[C@H]1C ZINC000147186370 JG Annotated Anodyne CC[C@]1(C)c2[nH]nc(NC(=O)c3ncc(F)cc3F)c2CN1C(=O)[C@@H]1C[C@@H]2CCCN2C[C@@H]1C ZINC000147226867 JG Annotated Anodyne CC[C@]1(C)c2[nH]nc(NC(=O)c3ncc(F)cc3F)c2CN1C(=O)[C@H]1C[C@@H]2CCCN2C[C@@H]1C ZINC000147227076 JG Annotated Anodyne CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)CCc3ccccc3)c(F)c2)CC1 ZINC000147261243 JG Annotated Clean CC/C(C)=C/C(=O)O[C@@H]1[C@H](C)C[C@H]2O[C@]1(O)[C@@H](O)[C@@]1(C)CC[C@H](O1)C(C)(C)/C=C/[C@H](C)C2=O ZINC000147277327 JG Annotated Anodyne CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cccc(F)c3)c(F)c2)CC1 ZINC000147281604 JG Annotated Clean COCCc1ccc(OC)cc1Nc1nc2ccccc2nc1NS(=O)(=O)C1CCNCC1 ZINC000147284276 JG Annotated Anodyne O=C(NCC(F)(F)F)Nc1cncc(-c2cnc3cc(-c4cnn(C5CNC5)c4)ccn23)c1 ZINC000147289728 JG Annotated Anodyne COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CNC4CC4)cc2)CC3)cc1 ZINC000147329826 JG Annotated Anodyne CNc1c(C)c(C)nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3NS(C)(=O)=O)nn12 ZINC000147357504 JG Annotated Anodyne Cc1[nH]c2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)nn2c(=O)c1C ZINC000147378230 JG Annotated Anodyne CNc1c(C)c(C)nc2cc([C@@H]3CCCCN3C(=O)c3cc(C)ccc3NS(C)(=O)=O)nn12 ZINC000147378664 JG Annotated Anodyne C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CC(O)C2)c1-c1ccccn1 ZINC000147439928 JG Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2c1CCN(S(=O)(=O)Nc1ncns1)C2 ZINC000147532836 JG Annotated Anodyne Cn1cc(-c2ccc3nc(Cc4nnc(CC(=O)NC5(C#N)CC5)o4)sc3c2Cl)cn1 ZINC000147556394 JG Annotated Mild COc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2c(C)noc2C)c1 ZINC000147587594 JG Annotated Anodyne C[C@@H](Oc1cc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000147819494 JG Annotated Anodyne CC(=O)c1cn(CC(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cnccc12 ZINC000147826070 JG Annotated Anodyne CC(=O)c1cn(CC(=O)N2CCS[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ncccc12 ZINC000147827072 JG Annotated Anodyne COCCc1ccc(OC)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cn(C)cn1 ZINC000147833613 JG Annotated Anodyne C/C=C(\C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](O)[C@]2(COC(C)=O)[C@@H]1CCC[C@]21CO1)C1=CC(=O)OC1 ZINC000147952616 JG Annotated Anodyne NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Br)c2)c2ccccc21 ZINC000147991506 JG Annotated Anodyne COc1ccc(CCCN(C)C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1 ZINC000148009924 JG Annotated Anodyne CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](CN4CCOCC4)C2)[C@]13C(=O)O ZINC000148161646 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148251228 JG Annotated Mild Cc1ccc(C(=O)n2nc(C(C)(C)C)cc2N)cc1Nc1ncnc2cnc(N[C@@H]3CCOC3)nc12 ZINC000148256910 JG Annotated Anodyne Cc1ccc(C(=O)n2nc(C(C)(C)C)cc2N)cc1Nc1ncnc2cnc(N[C@H]3CCOC3)nc12 ZINC000148257105 JG Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)=O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148270768 JG Annotated Mild CC(C)(C)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N5CCOCC5)nc34)c2)[nH]n1 ZINC000148274109 JG Annotated Anodyne Cn1cc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3cc(CNCC(F)(F)F)ccc3F)CO2)cn1 ZINC000148285043 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc(C3(c4nnc5n4CCS[C@@](C)(CO)C5)CC3)cc2)nc1 ZINC000148294694 JG Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCN(C4CC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148301524 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148302729 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)CCCN(C)C)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148329370 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N[C@@H]3CCCN(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148337953 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N[C@H]3CCCN(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148338160 JG Annotated Mild CN(C)C(=O)c1ccc(-c2ccc(C3(c4nnc5n4CCS[C@](C)(CO)C5)CC3)cc2)nc1 ZINC000148343721 JG Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148384389 JG Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCC4(CC3)CNC4)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148392902 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148401203 JG Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C)C[C@H]3C)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148409272 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N[C@@H]3CCCN(C)C3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148412156 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N[C@H]3CCCN(C)C3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148412377 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(NC)nc1 ZINC000148416872 JG Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148417454 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C4CC4)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148507757 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(CC4CC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148533076 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3C[C@H](C)N[C@H](C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148565439 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3C[C@H](C)N[C@@H](C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148565654 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3C[C@@H](C)N[C@H](C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148565845 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)NC3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148687715 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148687919 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCCN(C)CC3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148711131 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(N(C)C)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148713411 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)C3CCOCC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148714979 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C4CC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1C ZINC000148716814 JG Annotated Mild O=C(Nc1ccc(O)c(Cl)c1)[C@@H]1CCN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000148733479 JG Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCN(CC(F)F)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148746814 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@H](N(C)C)C3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148754132 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(C)(O)CC3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148757639 JG Annotated Mild CCNc1ccc(C#Cc2c(CC)ncnc2-c2ccc(C(=O)N3CCn4cnnc4C3)c(F)c2)cn1 ZINC000148767399 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC[C@@H](O)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148795260 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC[C@H](O)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148795493 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@@]4(CCN(C)C4)C3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148809426 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@]4(CCN(C)C4)C3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148809601 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C)C(C)(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148810731 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCOC(C)(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148813047 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)C3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148831613 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)c(F)c2)c1C#Cc1ccc(NC)nc1 ZINC000148867134 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)NCC3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148870199 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC4(CC3)COC4)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148875759 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)NC[C@@H]3CCCN(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148876815 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)NC[C@H]3CCCN(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148877038 JG Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)NCC3CCNCC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148878086 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN4CCCC[C@@H]4C3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148882592 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN4CCCC[C@H]4C3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148882808 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@H](N(C)C)C3)c(F)c2)c1C#Cc1ccc(NC)nc1 ZINC000148888871 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN4CCC[C@H]4C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148891023 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(N(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148951716 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC(CCO)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148952216 JG Annotated Mild CC[C@@]1(C)c2[nH]nc(NC(=O)c3ncc(F)cc3F)c2CN1C(=O)[C@@H]1C[C@@H]2CCCN2C[C@@H]1C ZINC000148952342 JG Annotated Anodyne CC[C@@]1(C)c2[nH]nc(NC(=O)c3ncc(F)cc3F)c2CN1C(=O)[C@H]1C[C@@H]2CCCN2C[C@@H]1C ZINC000148952531 JG Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCC[C@H](N(C)C)C3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148956636 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC[C@@H](N(C)C)C3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148956829 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)NC[C@H]3CCCN3CC)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148977000 JG Annotated Mild CC1(C)c2[nH]nc(NC(=O)c3ccc4ccccc4n3)c2CN1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000148991742 JG Annotated Anodyne CC1(C)c2[nH]nc(NC(=O)c3ccc4ccccc4n3)c2CN1C(=O)N1CCN2CCC[C@H]2C1 ZINC000148991961 JG Annotated Anodyne COc1ccc(CCS(C)(=O)=O)c(Nc2nc3ccccc3nc2NS(=O)(=O)C(C)C)c1 ZINC000148994064 JG Annotated Anodyne O=C1CN=C(n2cnc(C(F)(F)F)c2)C=C2c3cccc(I)c3CCN12 ZINC000149024270 JG Annotated Anodyne COc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)CCCSC)c1 ZINC000149049795 JG Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cn1)N1CC=C(c2ncc(C[C@H](O)CO)cc2Cl)CC1 ZINC000149079477 JG Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cn1)N1CC=C(c2ncc(C[C@@H](O)CO)cc2Cl)CC1 ZINC000149079677 JG Annotated Anodyne N#Cc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149125185 JG Annotated Anodyne Cc1ncc(C#Cc2c(C)ncnc2N(C)C[C@@H]2CCOC2)cc1NS(=O)(=O)c1ccccc1 ZINC000149145356 JG Annotated Mild Cc1ncc(C#Cc2c(C)ncnc2N(C)C[C@H]2CCOC2)cc1NS(=O)(=O)c1ccccc1 ZINC000149145566 JG Annotated Mild CO[C@H]1c2c(n(O)c3c4c(ccc23)OC(C)(C)C=C4)C(C)(C)[C@@H]2C[C@]34CCCN3C(=O)[C@]12NC4=O ZINC000149528716 JG Annotated Anodyne CC(C)n1nc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2ccc(C(N)=O)cc21 ZINC000149744212 JG Annotated Anodyne Cc1nc2ccccc2nc1-c1cc2nc(N3CCC[C@H]3CO)cc(N[C@@H]3CCCOC3)n2n1 ZINC000149764606 JG Annotated Anodyne CCCc1cc(F)cc(/C=N/NC(=O)CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1O ZINC000149792634 JG Annotated Reactive C=CCc1cc(F)cc(/C=N/NC(=O)CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1O ZINC000149813591 JG Annotated Reactive O=C(Nc1ccc([C@H]2CNCCO2)cc1Cl)c1cnn(-c2cncc(C(F)(F)F)n2)c1 ZINC000149940495 JG Annotated Anodyne O=C(Nc1ccc([C@H]2CNCCO2)c(Cl)c1)c1cnn(-c2cncc(C(F)(F)F)n2)c1 ZINC000149955354 JG Annotated Anodyne COC(=O)c1cccc(C(=O)Oc2ccc(OC(=O)c3cccc(C(=O)OC)n3)c(Cl)c2)n1 ZINC000001504871 JG Annotated Anodyne C=CCN1C[C@@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 ZINC000001531027 JG Annotated Mild CCOC(=O)C[C@@H]1COc2ccc(NC(=O)c3ccc(C(=N)N4CCOCC4)cc3)cc2C1 ZINC000001546257 JG Annotated Anodyne CCCCn1c(=O)c2nn(S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2n(CCCC)c1=O ZINC000001549399 JG Annotated Anodyne CCCCn1c(=O)c2nn(S(=O)(=O)c3ccc4ccccc4c3)cc2n(CCCC)c1=O ZINC000001549400 JG Annotated Anodyne Cc1cc(C)n(-c2ccc(S(=O)(=O)N3CCC(=O)N(Cc4ccccc4)C3=S)cc2)n1 ZINC000001576526 JG Annotated Anodyne C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@H]([C@H](C)O)[C@@H](O)[C@H]3O)c21 ZINC000001578317 JG Annotated Bother O=C1C2=C(C3=NCCc4c[nH]c1c43)c1c(cc(Br)c(O)c1Br)CCN2 ZINC000001618509 JG Annotated Mild CCN1c2ccccc2[C@@H]([C@@H](SC)S(=O)(=O)c2ccc(C)cc2)c2c1[nH]c(=O)n(C)c2=O ZINC000001628603 JG Annotated Anodyne CCN1c2ccccc2[C@H]([C@@H](SC)S(=O)(=O)c2ccc(C)cc2)c2c1[nH]c(=O)n(C)c2=O ZINC000001628604 JG Annotated Anodyne CCN1c2ccccc2[C@@H]([C@H](SC)S(=O)(=O)c2ccc(C)cc2)c2c1[nH]c(=O)n(C)c2=O ZINC000001628605 JG Annotated Anodyne CCN1c2ccccc2[C@H]([C@H](SC)S(=O)(=O)c2ccc(C)cc2)c2c1[nH]c(=O)n(C)c2=O ZINC000001628606 JG Annotated Anodyne O=C1[C@H](Cl)[C@H](c2cc(Br)cc(Br)c2O)N1n1cnc2ccccc2c1=O ZINC000001632110 JG Annotated Reactive O=C1[C@H](Cl)[C@@H](c2cc(Br)cc(Br)c2O)N1n1cnc2ccccc2c1=O ZINC000001632111 JG Annotated Reactive C[C@@]12C(=CC(=O)C[C@@H]1SCCS(=O)(=O)O)C(C#N)=C(N)N2c1ccc(Cl)c(Cl)c1 ZINC000001634754 JG Annotated Reactive C[C@]12C(=CC(=O)C[C@@H]1SCCS(=O)(=O)O)C(C#N)=C(N)N2c1ccc(Cl)c(Cl)c1 ZINC000001634755 JG Annotated Reactive C[C@@]12C(=CC(=O)C[C@H]1SCCS(=O)(=O)O)C(C#N)=C(N)N2c1ccc(Cl)c(Cl)c1 ZINC000001634756 JG Annotated Reactive C[C@]12C(=CC(=O)C[C@H]1SCCS(=O)(=O)O)C(C#N)=C(N)N2c1ccc(Cl)c(Cl)c1 ZINC000001634757 JG Annotated Reactive CC(C)CNC(=O)c1c(NC(=O)c2ccccc2)sc2[nH]c(=O)n(-c3ccccc3)c(=O)c12 ZINC000001642569 JG Annotated Anodyne O=C(c1ccccc1)c1cc[n+](C2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000001650368 JG Annotated Mild N[P@](=O)(OCC1=CC(=O)c2ccccc2C1=O)N(CCBr)CCBr ZINC000001651192 JG Annotated Reactive COCCOCN(C(=O)C1=CCC2(CC1)OCCO2)c1ccccc1I ZINC000001654031 JG Annotated Anodyne Cc1c(C)c(S(=O)(=O)N(CCCCCON)OCCCN)c(C)c2c1OC(C)(C)CC2 ZINC000001656745 JG Annotated Anodyne C[C@](CO)(CBr)COC(=O)c1cc(Br)c(N)c(Br)c1 ZINC000001656880 JG Annotated Reactive CN(C)c1ccc([C@@H]2CC(=O)C[C@H](c3ccc(N(C)C)cc3)C23C(=O)NC(=S)N=C3O)cc1 ZINC000001662048 JG Annotated Anodyne CN(C)c1ccc([C@H]2CC(=O)C[C@H](c3ccc(N(C)C)cc3)C23C(=O)NC(=S)N=C3O)cc1 ZINC000001662049 JG Annotated Anodyne COc1ccccc1Cn1c2c(c3c(C(=O)NCCN(C)C)c(O)ccc31)C(=O)c1ccccc1C2=O ZINC000001663196 JG Annotated Clean COC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(C)o3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000001749684 JG Annotated Bother COC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(C)o3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000001749693 JG Annotated Bother C[C@H](Oc1ccccc1Cl)C(=O)NN1C(=O)CC(=O)N(c2ccc(Cl)cc2)C1=S ZINC000001863327 JG Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1C(=O)CC(=O)N(c2ccccc2)C1=S ZINC000001863328 JG Annotated Anodyne Cc1c(F)c(NC(=O)CN(C)C)c2c(=O)cc(-c3ccc(NC(=O)CN(C)C)c(F)c3)oc2c1F ZINC000001863340 JG Annotated Anodyne COC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccco2)nc1C ZINC000001867021 JG Annotated Anodyne COC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccco2)nc1C ZINC000001867032 JG Annotated Anodyne COc1cc([C@@H]2[C@@H](C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000001895606 JG Annotated Anodyne COc1cc([C@H]2[C@@H](C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000001895611 JG Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccc(Cl)c3)oc12 ZINC000001902931 JG Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(Cl)c3)oc12 ZINC000001902939 JG Annotated Anodyne CC(C)Cc1ccc([C@@H](C)C(=O)OCCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1 ZINC000001908338 JG Annotated Anodyne COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(F)cc3c2C)c(S(C)(=O)=O)c1 ZINC000001911377 JG Annotated Anodyne CO[C@H]1c2cc3c(c(O)c2-c2c(cc4cc(C)[nH]c(=O)c4c2O)[C@@H]1O)C(=O)c1ccc(C)c(O)c1C3=O ZINC000015202981 JG Annotated Clean in-vitro COc1cc(/C=C/C(=O)NCCCCN(C/C=C(\C)CC/C=C(\C)CO)C(=N)N)ccc1O ZINC000015217358 JG Annotated Anodyne C[C@@H]1O[C@@H](c2ccc3c(c2O)C(=O)c2ccc4c(c2C3=O)C(=O)C[C@@](C)(O)C4)CC[C@@H]1N(C)C ZINC000015218284 JG Annotated Clean in-vitro C[C@H]1O[C@@H](c2ccc3c(c2O)C(=O)c2ccc4c(c2C3=O)C(=O)C[C@@](C)(O)C4)CC[C@@H]1N(C)C ZINC000015218287 JG Annotated Clean in-vitro COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(O)[C@@H]3O ZINC000015219770 JG Annotated Anodyne in-man endogenous COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(O)[C@H]3O ZINC000015219772 JG Annotated Anodyne in-man endogenous COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@@H]3O ZINC000015219774 JG Annotated Anodyne in-man endogenous COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O ZINC000015219777 JG Annotated Anodyne in-man endogenous C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@H]3O[C@@H]([C@@H](C)O)[C@@H](O)[C@@H]3O)c21 ZINC000015256758 JG Annotated Anodyne C[C@H]1C[C@]2(Cc3ccc(NC(=O)C(C)(C)F)cc3[C@]23N=C(N)N(CC(C)(C)F)C3=O)C[C@@H](C)[C@@H]1O ZINC000150099485 JG Annotated Anodyne COc1cccc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)cc4)c3n2)n1 ZINC000150265305 JG Annotated Anodyne CC1=C(CO)C(=O)O[C@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000153237755 JG Annotated Mild C=C1[C@]2(C(=O)OC)C(=O)[C@@](C)(O)C(=O)[C@]1(C)C[C@H]1C(C)=C3CC(=O)OC(C)(C)C3=CC[C@@]12C ZINC000154509852 JG Annotated Mild COc1cc2ccc1Oc1cc(ccc1O)/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/2 ZINC000154708715 JG Annotated Anodyne CCN(CCCNC(=O)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000015786795 JG Annotated Anodyne COc1ccc(C2=C(C(C)=O)Sc3nnc(COc4ccccc4)n3N2C(C)=O)cc1OC ZINC000015881892 JG Annotated Mild COc1cccc(N2CCN(C(=O)CC(C)(C)CC3=NS(=O)(=O)c4ccccc4N3)CC2)c1 ZINC000015890395 JG Annotated Anodyne O=C(O)[C@]1(S(=O)(=O)c2ccccc2)C[C@@H]2ON=C(c3cccc(Br)c3)[C@@H]2C1 ZINC000015924804 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3cccc(C)c3)C(=O)[C@@]12C ZINC000015935637 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3cccc(F)c3)C(=O)[C@@]12C ZINC000015935638 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccc(C)cc3)C(=O)[C@@]12C ZINC000015935639 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3cccc(F)c3)C(=O)[C@]12C ZINC000015935734 JG Annotated Anodyne Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(NCCN3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000015936266 JG Annotated Bother Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(NCCN3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000015936267 JG Annotated Bother COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(C)C(=O)N(c4ccccc4)C(=O)N23)cc1 ZINC000015936628 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@H]2N2C(=O)N(c3ccc(C)cc3)C(=O)[C@@]12C ZINC000015936672 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccc(OC)cc3)C(=O)[C@]12C ZINC000015936678 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@H]2N2C(=O)N(c3ccc(F)cc3)C(=O)[C@@]12C ZINC000015936684 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@H]2N2C(=O)N(c3ccc(F)cc3)C(=O)[C@]12C ZINC000015936687 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccc(F)cc3)C(=O)[C@]12C ZINC000015936690 JG Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2cccc(N3C(=O)N[C@@H]4C[C@@]3(C)Oc3ccccc34)c2)CC1 ZINC000015936813 JG Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2cccc(N3C(=O)N[C@H]4C[C@]3(C)Oc3ccccc34)c2)CC1 ZINC000015936814 JG Annotated Anodyne CCN1C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C ZINC000015937422 JG Annotated Anodyne Cc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C)C(=O)N(Cc4ccc(-c5ccccc5)cc4)CC(=O)N23)o1 ZINC000015941165 JG Annotated Anodyne Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@]3(C)C(=O)N(Cc4ccccc4)CC(=O)N23)o1 ZINC000015941197 JG Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3ccc(NC4=N[C@H]5CS(=O)(=O)C[C@@H]5S4)cc3)C[C@H]2C)c1 ZINC000015941333 JG Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3ccc(NC4=N[C@H]5CS(=O)(=O)C[C@@H]5S4)cc3)C[C@@H]2C)c1 ZINC000015941335 JG Annotated Anodyne CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)NCCCCCNC(=O)OC(C)(C)C)cc1 ZINC000015952229 JG Annotated Anodyne CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)cc1 ZINC000015952241 JG Annotated Anodyne C/C(=N\OCc1nc2ccccc2c(=O)n1N/C=C1\C=C([N+](=O)[O-])C=CC1=O)c1ccccc1 ZINC000015952294 JG Annotated Mild C/C(=N/OCc1nc2ccccc2c(=O)n1N/C=C1\C=C([N+](=O)[O-])C=CC1=O)c1ccccc1 ZINC000015952295 JG Annotated Mild CC1=C/C(=C\Nn2c(CO/N=C(\C)c3ccccc3)nc3ccccc3c2=O)C(=O)C([N+](=O)[O-])=C1 ZINC000015952699 JG Annotated Mild CC1=C/C(=C\Nn2c(CO/N=C(/C)c3ccccc3)nc3ccccc3c2=O)C(=O)C([N+](=O)[O-])=C1 ZINC000015952700 JG Annotated Mild CCOC1=C/C(=C/NNc2nc(-c3cccc(S(=O)(=O)N4CCCC4)c3)cs2)C=CC1=O ZINC000015973985 JG Annotated Mild Cc1ccc2c(c1)=C(c1ccccc1)/C(=C1/C[C@@H](c3cccs3)N(C(=O)CCC(=O)O)N1)C(=O)N=2 ZINC000015974006 JG Annotated Anodyne Cc1ccc2c(c1)=C(c1ccccc1)/C(=C1/C[C@H](c3cccs3)N(C(=O)CCC(=O)O)N1)C(=O)N=2 ZINC000015974007 JG Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](CNC(=S)Nc5cccc(Cl)c5)(O4)[C@@H]3C2=O)cc1 ZINC000015974119 JG Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](CNC(=S)Nc5cccc(Cl)c5)(O4)[C@@H]3C2=O)cc1 ZINC000015974120 JG Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](CNC(=S)Nc5ccc(Cl)cc5)(O4)[C@@H]3C2=O)cc1 ZINC000015974121 JG Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](CNC(=S)Nc5ccc(Cl)cc5)(O4)[C@@H]3C2=O)cc1 ZINC000015974122 JG Annotated Anodyne COc1ccccc1NC(=S)NN/C=C1\C=Nc2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000015974337 JG Annotated Anodyne CCC1=C2CC[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2[C@@]2(C)/C(=N\CC3CC3)OC(=O)N2C1=O ZINC000015974509 JG Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N\CC3CC3)[C@]2(C)[C@H]2C1=CC[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000015974512 JG Annotated Mild O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 ZINC000015987851 JG Annotated Anodyne aggregator CC1(C)C=CN2C(=O)[C@@H]3C[C@]4(O)c5ccccc5N[C@@H]4N3C(=O)C2=Cc2c1[nH]c1ccccc21 ZINC000155041291 JG Annotated Anodyne CCCCN(C(=O)CSc1ncnc2sccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000016047008 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000016047628 JG Annotated Anodyne O=C1[C@@H](Cc2ccc(Br)cc2)SC(=S)N1NS(=O)(=O)c1ccccc1 ZINC000016051793 JG Annotated Clean N/N=C(/C(=O)Nc1cccc(Cl)c1)[C@@H](C(=O)c1ccc(O)cc1O)[C@@H]1OC(=O)c2ccccc21 ZINC000016957684 JG Annotated Mild Cc1ccc(S(=O)(=O)NN[C@@H]2Oc3cc4c(cc3[C@H](c3ccccc3O)[C@H]2C)OCO4)cc1 ZINC000016958625 JG Annotated Anodyne COc1cc([C@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@@H]2C)OCO4)cc(OC)c1OC(C)=O ZINC000016958701 JG Annotated Anodyne CCN1CC(N2C[C@H](C(C)C)N(c3ccn4ncc(-c5ccc(-c6nc[nH]n6)cc5)c4n3)C2=O)C1 ZINC000165171347 JG Annotated Anodyne COc1cccc([C@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5nc[nH]n5)c(F)c4)c3n2)n1 ZINC000165282478 JG Annotated Anodyne CS(=O)(=O)NCCC(=O)N1CCC(c2cc(C(=O)N3CCC[C@H]4CCCC[C@H]43)cs2)CC1 ZINC000165357211 JG Annotated Anodyne CS(=O)(=O)N1CCN(c2ccc(-c3c(O)ccc4[nH]c(=O)c5sccc5c34)cc2)CC1 ZINC000165360426 JG Annotated Anodyne CC1(C)OC(=O)C=C[C@]12C[C@@H]([C@]1(C)C=CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@@]413)O[C@]2(C)O ZINC000166043520 JG Annotated Anodyne COC(=O)[C@H](O)[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C(=O)c5ccccc5)[C@@H]4CC1)[C@H]32 ZINC000166116487 JG Annotated Anodyne CC1=CC(C)(C)[C@@H]2O[C@@]3(O)CC[C@@]4(C)[C@H](c5ccoc5)O[C@]5(C(C)C)C[C@H]4[C@]34O[C@@]1(O)[C@@]2(O)[C@H]4O5 ZINC000166158582 JG Annotated Anodyne Cc1ccc(NS(=O)(=O)CCC(C)C)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc12 ZINC000166186175 JG Annotated Anodyne CCCCCCCCC[C@H]1C[C@H]2CC[C@H]3[C@H](C(=O)OCCCCN=C(N)N)[C@@H](C)N=C(N1)N32 ZINC000166224384 JG Annotated Mild NC(=O)c1cc(O)cc2c(NCc3cccc(NC(=O)c4ccnc(N5CCCC5)c4)c3)ncnc12 ZINC000166975691 JG Annotated Anodyne CNCC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N[C@@H](O)c2cc(C3CC3)n[nH]2)c1 ZINC000166989723 JG Annotated Anodyne CNCC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N[C@@H](O)c2cc(C3CC3)n[nH]2)c1 ZINC000166989835 JG Annotated Anodyne CNCC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N[C@H](O)c2cc(C3CC3)n[nH]2)c1 ZINC000166989939 JG Annotated Anodyne CNCC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N[C@H](O)c2cc(C3CC3)n[nH]2)c1 ZINC000166990044 JG Annotated Anodyne CCOC(=O)c1ccc(C(=O)NC2=CCCC([C@H](C)Nc3ncnc4c(C(N)=O)cccc34)=C2)cn1 ZINC000166992821 JG Annotated Anodyne O=C(NCCO)[C@@H](O)c1ccc(-c2noc(-c3noc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167269801 JG Annotated Anodyne O=C(NCCO)[C@H](O)c1ccc(-c2noc(-c3noc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167269901 JG Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2C)CC1 ZINC000167395062 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)CCN3CCCC3=O)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167396482 JG Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCn4ccnc4C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167408189 JG Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167438066 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCn4c(C)cnc4C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167442903 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCn4ccnc4C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167444340 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC4(CC3)CNC4)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167453497 JG Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CC4(CN(C)C4)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167458804 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC4(CCNCC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167475058 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC4(CN(C)C4)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167478559 JG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC4(CC3)CN(C)C4)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167480564 JG Annotated Mild CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(C#N)cc5n4)c3)cc2C1 ZINC000167951939 JG Annotated Mild CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cn5cc(C#N)ccc5n4)c3)cc2C1 ZINC000167955658 JG Annotated Mild CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(C#N)cc5n4)c3)sc2C1 ZINC000167961847 JG Annotated Mild CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5cc(C#N)ccc5n4)c3)sc2C1 ZINC000167961980 JG Annotated Mild CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc5c(=O)[nH]ccc5n4)c3)cc2C1 ZINC000167977359 JG Annotated Anodyne COCCOc1ccc(S(=O)(=O)[C@H]2CCN(c3cc(C(F)(F)F)nc(C#N)n3)C2)c(Cl)c1 ZINC000168384631 JG Annotated Mild N#Cc1nc(N2CC[C@H](S(=O)(=O)c3ccc(-n4cccn4)cc3Cl)C2)cc(C(F)(F)F)n1 ZINC000168414567 JG Annotated Mild CC[S@@](=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](COC)[C@@H](C)O)n2)cc1 ZINC000168423024 JG Annotated Anodyne N#Cc1nc(N2CC[C@H](S(=O)(=O)c3ccc(-n4ccnc4)cc3Cl)C2)cc(C(F)(F)F)n1 ZINC000168583343 JG Annotated Mild CNc1cc(-n2nc(C(C)C)c3c(-n4cnc(-c5cnn(C)c5)c4)ccnc32)ccc1C(N)=O ZINC000169270709 JG Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 ZINC000169274020 JG Annotated Anodyne Cn1cc(-c2cn(-c3ccnc4c3c(C(F)(F)F)nn4-c3ccc(C(N)=O)cc3F)cn2)cn1 ZINC000169288305 JG Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000169290431 JG Annotated Mild CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000169290432 JG Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000169290433 JG Annotated Mild CCOC(=O)[C@@H]1ON2O[C@@H](O[C@H]3CCCC3(c3ccccc3)c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@H]32 ZINC000169290673 JG Annotated Anodyne C[C@H]1C/C=C\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)/C=C\[C@@H](C)[C@H]1O ZINC000169290959 JG Annotated Anodyne C[C@H]1C/C=C\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)/C=C/[C@@H](C)[C@H]1O ZINC000169290960 JG Annotated Anodyne C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)/C=C\[C@@H](C)[C@H]1O ZINC000169290961 JG Annotated Anodyne Cn1ncc2c1[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)[C@@H]1[C@@H]3C[C@@H]4C[C@]1(C2)C[C@@]4(C)O3 ZINC000169291225 JG Annotated Anodyne Cn1ncc2c1[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)[C@H]1[C@@H]3C[C@@H]4C[C@]1(C2)C[C@@]4(C)O3 ZINC000169291226 JG Annotated Anodyne Cn1ncc2c1[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)[C@@H]1[C@H]3C[C@@H]4C[C@]1(C2)C[C@@]4(C)O3 ZINC000169291227 JG Annotated Anodyne Cn1ncc2c1[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)[C@H]1[C@H]3C[C@@H]4C[C@]1(C2)C[C@@]4(C)O3 ZINC000169291228 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291813 JG Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(O)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291814 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(O)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291815 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(O)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169291816 JG Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\[C@@](C)(O)C[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000169291851 JG Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\[C@@](C)(O)C[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000169291852 JG Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@@](C)(O)C[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000169291853 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(O)c(OC)c2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169292182 JG Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(O)c(OC)c2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169292183 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(O)c(OC)c2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169292184 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(O)c(OC)c2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169292185 JG Annotated Anodyne C=C1[C@@H](C)[C@H]2[C@H](Cc3ccc(O)cc3)NC(=O)[C@]23OC(=O)/C=C\[C@H](O)CCC[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000169292558 JG Annotated Mild C=C1[C@@H](C)[C@H]2[C@H](Cc3ccc(O)cc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000169292559 JG Annotated Mild C=C1[C@@H](C)[C@H]2[C@H](Cc3ccc(O)cc3)NC(=O)[C@]23OC(=O)/C=C\[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000169292560 JG Annotated Mild CCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000169293229 JG Annotated Anodyne CCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000169293230 JG Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@@H](O[C@H](CC(C)=O)[C@@H]31)[C@](C)(CCC(=O)O)OC(=O)[C@@H]2C ZINC000169293248 JG Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@H](O[C@H](CC(C)=O)[C@@H]31)[C@](C)(CCC(=O)O)OC(=O)[C@@H]2C ZINC000169293250 JG Annotated Anodyne C/C1=C/[C@@H](C)[C@H](O)C/C=C\CC/C=C\C(=O)O[C@@H]1[C@H](C)C(=O)/C=C/CC1CC(=O)NC(=O)C1 ZINC000169293354 JG Annotated Mild C/C1=C/[C@@H](C)[C@H](O)C/C=C\CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)/C=C/CC1CC(=O)NC(=O)C1 ZINC000169293355 JG Annotated Mild C/C1=C/[C@@H](C)[C@H](O)C/C=C/CC/C=C\C(=O)O[C@@H]1[C@H](C)C(=O)/C=C/CC1CC(=O)NC(=O)C1 ZINC000169293356 JG Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)[C@@H]2C[C@@H]2[C@@]23C[C@@H]4C[C@@H](O[C@@]4(C)C2)[C@H]13 ZINC000169293520 JG Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)[C@@H]2C[C@@H]2[C@]23C[C@@H]4C[C@@H](O[C@@]4(C)C2)[C@H]13 ZINC000169293521 JG Annotated Anodyne C[C@]12C[C@]34C[C@H]1C[C@@H](O2)[C@@H]3[C@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)C(=O)[C@@H]1C[C@@H]14 ZINC000169293522 JG Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169293700 JG Annotated Anodyne CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169293701 JG Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169293702 JG Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@@H]1C[C@H]31 ZINC000169294699 JG Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000169294700 JG Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000169294701 JG Annotated Anodyne O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000169294702 JG Annotated Anodyne CC[C@@H]1O[C@]2(C)[C@@H](O)[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)O[C@]1(C)[C@@H]2OC(C)=O ZINC000169295278 JG Annotated Anodyne CCOC(=O)[C@@]1(CC)N[C@@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169295619 JG Annotated Anodyne CCOC(=O)[C@]1(CC)N[C@@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169295620 JG Annotated Anodyne CCOC(=O)[C@@]1(CC)N[C@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169295621 JG Annotated Anodyne CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@H]32)cc1 ZINC000169295887 JG Annotated Anodyne COc1ccc([C@@H]2N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]23)cc1 ZINC000169296304 JG Annotated Anodyne COc1ccc([C@H]2N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]23)cc1 ZINC000169296306 JG Annotated Anodyne COc1cc(C[C@@H]2c3cc4c(cc3CCN2CCCl)O[S@@](=O)O4)cc(OC)c1OC ZINC000169296615 JG Annotated Reactive COc1cc(C[C@H]2c3cc4c(cc3CCN2CCCl)O[S@@](=O)O4)cc(OC)c1OC ZINC000169296616 JG Annotated Reactive CCC[C@@]1(C(=O)OC)N[C@@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169296646 JG Annotated Anodyne CCC[C@]1(C(=O)OC)N[C@@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169296647 JG Annotated Anodyne CCC[C@@]1(C(=O)OC)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169296648 JG Annotated Anodyne CO[C@H]1/C=C/CC/C=C\C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)/C(C)=C\[C@@H](C)[C@@H]1O ZINC000169298903 JG Annotated Anodyne CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000169299845 JG Annotated Anodyne CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@H]32)cc1 ZINC000169299847 JG Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000169300698 JG Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000169300699 JG Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000169300700 JG Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccc(O)cc2)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000169301390 JG Annotated Anodyne CCOC(=O)[C@]1(Cc2ccc(O)cc2)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000169301391 JG Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccc(O)cc2)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000169301394 JG Annotated Anodyne C[C@H]1C/C=C\[C@@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)O/C=C\[C@](C)(O)C1=O ZINC000169301530 JG Annotated Anodyne C[C@H]1C/C=C\[C@@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)O/C=C/[C@](C)(O)C1=O ZINC000169301531 JG Annotated Anodyne C[C@H]1C/C=C/[C@@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)O/C=C\[C@](C)(O)C1=O ZINC000169301532 JG Annotated Anodyne Cc1ccc([C@@H]2c3sc(O)nc3S[C@@H]3[C@@H]4C[C@@H]([C@@H]5C(=O)N([C@@H](C)C(=O)O)C(=O)[C@H]54)[C@H]23)cc1 ZINC000169302101 JG Annotated Anodyne Cc1ccc([C@H]2c3sc(O)nc3S[C@H]3[C@@H]2[C@H]2C[C@@H]3[C@@H]3C(=O)N([C@@H](C)C(=O)O)C(=O)[C@@H]23)cc1 ZINC000169302102 JG Annotated Anodyne Cc1ccc([C@@H]2c3sc(O)nc3S[C@H]3[C@@H]4C[C@@H]([C@@H]5C(=O)N([C@@H](C)C(=O)O)C(=O)[C@H]54)[C@@H]32)cc1 ZINC000169302103 JG Annotated Anodyne Cc1ccc([C@H]2c3sc(O)nc3S[C@@H]3[C@@H]2[C@H]2C[C@@H]3[C@@H]3C(=O)N([C@@H](C)C(=O)O)C(=O)[C@@H]23)cc1 ZINC000169302105 JG Annotated Anodyne C[C@H]1C[C@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@]2(O)CO)OC1(C)C ZINC000169302236 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N[C@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000169302943 JG Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3F)NN(C(=O)c3ccc(C)cc3)[C@@H]2C1=O ZINC000169303136 JG Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NC2CCCC2)C(=O)N1CCCN1CCCC1=O ZINC000169303405 JG Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NC2CCCC2)C(=O)N1CCCN1CCCC1=O ZINC000169303406 JG Annotated Anodyne CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@@H](c3ccccc3)N(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000169304058 JG Annotated Mild CN1CCN(C2=C(Nc3ccc(I)cc3)C(=O)c3ccccc3C2=O)CC1 ZINC000169304563 JG Annotated Mild Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1 ZINC000169305108 JG Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(F)cc3)NN(C(=O)c3ccc(C)cc3)[C@@H]2C1=O ZINC000169305630 JG Annotated Anodyne CCOC(=O)[C@@H](CC(C)C)N1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000169305892 JG Annotated Anodyne CCOC(=O)[C@@H](Cc1ccccc1)N1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000169305895 JG Annotated Anodyne CC[C@H]1C2=C3[C@H](CC[C@H]4[C@@H](OC)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](CO)[C@@H]1CO ZINC000169305948 JG Annotated Anodyne CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@H](OC)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](CO)[C@@H]1CO ZINC000169305949 JG Annotated Anodyne CC[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OC)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](CO)[C@@H]1CO ZINC000169305950 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N(N=O)[C@H](c2ccc(C)cc2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169306008 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N(N=O)[C@@H](c2ccc(C)cc2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169306009 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N(N=O)[C@@H](c2ccc(C)cc2)[C@H](C(=O)OCC)S1(=O)=O ZINC000169306010 JG Annotated Anodyne CCOC(=O)[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000169307101 JG Annotated Bother CCOC(=O)[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000169307103 JG Annotated Bother CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4nc(C)cc(C(F)(F)F)n4)ccc1c23 ZINC000169308109 JG Annotated Anodyne CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NCC5(C)COC5)c4)c2C1)CC(C)(C)CC3=O ZINC000169308144 JG Annotated Anodyne O=S1(=O)c2cc(N3CCN4CCC3CC4)ccc2-c2cccc(I)c21 ZINC000169308806 JG Annotated Anodyne O=C(O)CCCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4Sc5nc(O)sc5[C@H](c5ccccc5)[C@H]34)[C@@H]2C1=O ZINC000169309085 JG Annotated Anodyne CCCC(CCC)(c1ccc(OS(N)(=O)=O)c(C)c1)c1ccc(OS(N)(=O)=O)c(C)c1 ZINC000169309973 JG Annotated Anodyne CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N(Cc2cn(-c3ccccc3)nn2)c2ccccc21 ZINC000169310519 JG Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(Cc2cn(-c3ccccc3)nn2)c2ccccc21 ZINC000169310521 JG Annotated Reactive Cc1ccc(-n2cc(CN3C(=O)[C@@]4(C(C#N)=C(N)OC5=C4C(=O)CCC5)c4ccccc43)nn2)cc1 ZINC000169310539 JG Annotated Reactive Cc1ccc(-n2cc(CN3C(=O)[C@]4(C(C#N)=C(N)OC5=C4C(=O)CCC5)c4ccccc43)nn2)cc1 ZINC000169310541 JG Annotated Reactive CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169310717 JG Annotated Clean CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169310719 JG Annotated Clean CCC[C@@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169310720 JG Annotated Clean CN(c1ccc(C#N)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc([S@@](C)=O)cc2)c1 ZINC000169311692 JG Annotated Mild CN(c1ccc(C#N)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc([S@](C)=O)cc2)c1 ZINC000169311693 JG Annotated Mild CN(c1ccc([S@@](C)=O)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1 ZINC000169311715 JG Annotated Mild CN(c1ccc([S@](C)=O)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1 ZINC000169311716 JG Annotated Mild CN(C)Cc1ccc(N[C@H]2C(=O)[C@H](Cl)[C@@H](Nc3ccc(CN(C)C)cc3)C(=O)[C@@H]2Cl)cc1 ZINC000169312565 JG Annotated Reactive NC(=O)c1ccc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000169313167 JG Annotated Mild NC(=O)c1ccc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000169313168 JG Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCn2cnc3ccccc32)cc1 ZINC000169313189 JG Annotated Mild COC(=O)c1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCn2cnc3ccccc32)cc1 ZINC000169313190 JG Annotated Mild CCC[C@@]1(C(=O)OC)N[C@@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169313563 JG Annotated Anodyne CCC[C@]1(C(=O)OC)N[C@@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169313564 JG Annotated Anodyne CCC[C@@]1(C(=O)OC)N[C@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169313565 JG Annotated Anodyne Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 ZINC000169314036 JG Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](C/C=N\O[C@@H](C)CN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000169314110 JG Annotated Mild CC(=O)OC[C@@H]1O[C@@H](C/C=N/O[C@@H](C)CN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000169314111 JG Annotated Mild CC(=O)OC[C@H]1O[C@@H](C/C=N\O[C@@H](C)CN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000169314112 JG Annotated Mild CC(=O)OC[C@H]1O[C@@H](C/C=N/O[C@@H](C)CN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000169314113 JG Annotated Mild CSc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)c1 ZINC000169315945 JG Annotated Anodyne CSc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)c1 ZINC000169315946 JG Annotated Anodyne CSc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)c1 ZINC000169315948 JG Annotated Anodyne CSc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)c1 ZINC000169315950 JG Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCN3CCN(Cc4ccccc4)CC3)[C@@H]1O2 ZINC000169316351 JG Annotated Anodyne C/C1=C\[C@@H](O)C(=O)/C=C\C=C/c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)SSC(=O)[C@]2(C)O ZINC000169317948 JG Annotated Reactive COc1ccc(C[S@](=O)[C@@H]2CC(=O)O[C@@H](C)CCC/C=C\[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1 ZINC000169318134 JG Annotated Anodyne COc1ccc(C[S@@](=O)[C@@H]2CC(=O)O[C@@H](C)CCC/C=C\[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1 ZINC000169318136 JG Annotated Anodyne CO[C@H]1[C@@H]2O[C@@H]2[C@@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)O[C@@H]1C ZINC000169318373 JG Annotated Mild CO[C@H]1[C@@H]2O[C@@H]2[C@@H](OC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)O[C@@H]1C ZINC000169318376 JG Annotated Mild O=C(/C=C/c1coc2ccccc2c1=O)N1CCN(C(=O)/C=C/c2coc3ccccc3c2=O)CC1 ZINC000169318385 JG Annotated Anodyne CCCC(=O)Nc1cc(NC(=O)CCC)cc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169320181 JG Annotated Reactive CNC1=NC(=O)[C@@H]([C@@H](C)c2cn(C(=O)OCC(C)(C)N3CCOCC3)c3ccccc23)S1 ZINC000169320522 JG Annotated Anodyne CNC1=NC(=O)[C@H]([C@@H](C)c2cn(C(=O)OCC(C)(C)N3CCOCC3)c3ccccc23)S1 ZINC000169320523 JG Annotated Anodyne CNC1=NC(=O)[C@@H]([C@H](C)c2cn(C(=O)OCC(C)(C)N3CCOCC3)c3ccccc23)S1 ZINC000169320524 JG Annotated Anodyne CNC1=NC(=O)[C@H]([C@H](C)c2cn(C(=O)OCC(C)(C)N3CCOCC3)c3ccccc23)S1 ZINC000169320526 JG Annotated Anodyne C/C(=N\c1ccccc1)C1=C(O)[C@H](N)[C@@H]2Cc3c(c(O)c4c(O)c(C)ccc4c3C)C(=O)[C@]2(O)C1=O ZINC000169321379 JG Annotated Mild CCCSc1nc(N2CCC[C@@H](CC(=O)NS(C)(=O)=O)C2)ccc1C(=O)NC1CCCCC1 ZINC000169322451 JG Annotated Anodyne CCCCCCCCO[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Br ZINC000169323027 JG Annotated Mild CCCCCCCCO[C@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Br ZINC000169323029 JG Annotated Mild CCCCCCCCO[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Br ZINC000169323030 JG Annotated Mild Cc1ccc2c(c1)[C@]1(C)CCC3(SCCS3)[C@H](NC(=O)CCN3CCN(C)CC3)[C@@H]1O2 ZINC000169323943 JG Annotated Anodyne O=C(CCc1ccccc1)O[C@@H]1C=C[C@@H](n2ccc(=O)n(Cc3cc(F)cc(F)c3)c2=O)C1 ZINC000169324091 JG Annotated Anodyne O=C(CCc1ccccc1)O[C@H]1C=C[C@@H](n2ccc(=O)n(Cc3cc(F)cc(F)c3)c2=O)C1 ZINC000169324093 JG Annotated Anodyne O=C(CCc1ccccc1)O[C@@H]1C=C[C@H](n2ccc(=O)n(Cc3cc(F)cc(F)c3)c2=O)C1 ZINC000169324094 JG Annotated Anodyne O=C(CCc1ccccc1)O[C@H]1C=C[C@H](n2ccc(=O)n(Cc3cc(F)cc(F)c3)c2=O)C1 ZINC000169324095 JG Annotated Anodyne CC[C@H](C)[C@H](NC(=O)c1csc(CNC(=O)OC(C)(C)C)n1)c1nc(C(=O)OC)co1 ZINC000169324663 JG Annotated Anodyne CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(-c4cccc(F)c4)cn32)C2CCCCC2)CC1 ZINC000169325498 JG Annotated Anodyne CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(-c4cccc(Cl)c4)cn32)C(C)(C)C)CC1 ZINC000169325511 JG Annotated Anodyne O=C(N[C@H](CO)c1ccc(Cl)c(Cl)c1)N1CCc2cnc(NC3CCOCC3)nc2C1 ZINC000169326247 JG Annotated Anodyne O=C(O)c1cn(Cc2ccccn2)c2nc(N3CCN(c4nc5ccccc5s4)CC3)ccc2c1=O ZINC000169326758 JG Annotated Anodyne Cc1ccc(N2C(=O)[C@@H](N[C@@H](CO)CN3C(=O)C(=O)c4cc(C)ccc43)[C@H]2/C=C/c2ccccc2)cc1 ZINC000169328151 JG Annotated Anodyne Cc1ccc(N2C(=O)[C@@H](N[C@H](CO)CN3C(=O)C(=O)c4cc(C)ccc43)[C@H]2/C=C/c2ccccc2)cc1 ZINC000169328153 JG Annotated Anodyne Cc1ccc2c(c1)C(=O)C(=O)N2C[C@@H](CO)N[C@@H]1C(=O)N(C2CCCCC2)[C@@H]1/C=C/c1ccccc1 ZINC000169328158 JG Annotated Anodyne Cc1ccc2c(c1)C(=O)C(=O)N2C[C@H](CO)N[C@@H]1C(=O)N(C2CCCCC2)[C@@H]1/C=C/c1ccccc1 ZINC000169328159 JG Annotated Anodyne Cc1ccc(N2C(=O)[C@@H](N[C@@H](CO)CN3C(=O)C(=O)c4cc(F)ccc43)[C@H]2/C=C/c2ccccc2)cc1 ZINC000169328171 JG Annotated Anodyne Cc1ccc(N2C(=O)[C@@H](N[C@H](CO)CN3C(=O)C(=O)c4cc(F)ccc43)[C@H]2/C=C/c2ccccc2)cc1 ZINC000169328173 JG Annotated Anodyne CCc1c([C@@H](F)c2cc(C)cc(C)c2)n(COCc2ccc(C#CCO)cc2)c(=O)[nH]c1=O ZINC000169328327 JG Annotated Mild CCc1c([C@H](F)c2cc(C)cc(C)c2)n(COCc2ccc(C#CCO)cc2)c(=O)[nH]c1=O ZINC000169328329 JG Annotated Mild [O-][n+]1onc2ccc(CN3CCN(/C(=N/c4ccccc4)NCCc4ccccc4)CC3)cc21 ZINC000169328581 JG Annotated Mild CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)CNC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000169330720 JG Annotated Anodyne Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OC[C@H]1[C@@H]3c2c(n(C)c(=O)n(C)c2=O)OC1(C)C ZINC000169330914 JG Annotated Anodyne CC[C@H]1C[C@@H]2C[C@@H]3[C@H]4C/C=C\C(=O)NCCC[C@H]5NC(=O)C(=C5O)C(=O)/C=C/[C@@H]4C[C@H](O)[C@H]3[C@@H]2[C@H]1C ZINC000169330971 JG Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)[C@@H]2CCC(=O)N2)[C@@]13C(=O)O ZINC000169330975 JG Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)[C@@H]2CCC(=O)N2)[C@@]13C(=O)O ZINC000169330977 JG Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)[C@@H]2CCC(=O)N2)[C@@]13C(=O)O ZINC000169330979 JG Annotated Mild O=C(c1cc(Cl)ccc1-n1nccn1)N1C[C@@H]2C[C@@H](C1)CN2c1ncc2cc(F)ccc2n1 ZINC000169331586 JG Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000169331708 JG Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000169331710 JG Annotated Anodyne CO[C@H]1CO[C@@H](Oc2c3c(c(-c4ccc5c(c4)OCO5)c4ccccc24)C(=O)OC3)[C@H](O)[C@H]1OC ZINC000169332096 JG Annotated Anodyne CC1=C[C@H]2[C@@H]3C[C@@H](C)[C@@]4(OCO[C@@]45COCO5)[C@@]3(C)C[C@@H](O)[C@@H]2[C@@]2(C)CC(C=O)=C(O)C=C12 ZINC000169332215 JG Annotated Reactive CC1=C[C@H]2[C@@H]3C[C@H](C)[C@@]4(OCO[C@@]45COCO5)[C@@]3(C)C[C@@H](O)[C@@H]2[C@@]2(C)CC(C=O)=C(O)C=C12 ZINC000169332216 JG Annotated Reactive CC1=C[C@H]2[C@@H]3C[C@@H](C)[C@]4(OCO[C@@]45COCO5)[C@@]3(C)C[C@@H](O)[C@@H]2[C@@]2(C)CC(C=O)=C(O)C=C12 ZINC000169332217 JG Annotated Reactive CC1=C[C@H]2[C@@H]3C[C@H](C)[C@]4(OCO[C@@]45COCO5)[C@@]3(C)C[C@@H](O)[C@@H]2[C@@]2(C)CC(C=O)=C(O)C=C12 ZINC000169332218 JG Annotated Reactive C[C@H]1[C@@H]2C[C@@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@@H]1O[C@@]2(C)C4 ZINC000169332475 JG Annotated Mild C[C@@H]1[C@H]2O[C@@]3(C)C[C@@]4(C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@H]24)C[C@H]13 ZINC000169332477 JG Annotated Mild C[C@H]1[C@@H]2C[C@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@@H]1O[C@@]2(C)C4 ZINC000169332480 JG Annotated Mild C[C@@H]1[C@H]2O[C@@]3(C)C[C@]4(C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@H]24)C[C@H]13 ZINC000169332481 JG Annotated Mild CCN1C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H](c2ccccc2)[C@@H](C(=O)OC)[C@@H]1C ZINC000169333286 JG Annotated Anodyne CCN1C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H](c2ccccc2)[C@H](C(=O)OC)[C@@H]1C ZINC000169333289 JG Annotated Anodyne C[C@@H]1OC(=O)c2c(O)cc(NCc3ccccc3)cc2/C=C\C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C ZINC000169335116 JG Annotated Mild C[C@@H]1OC(=O)c2c(O)cc(NCc3ccccc3)cc2/C=C\C[C@H](O)[C@H](O)C(=O)/C=C/[C@H]1C ZINC000169335119 JG Annotated Mild C[C@@H]1OC(=O)c2c(O)cc(NCc3ccccc3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C/[C@H]1C ZINC000169335123 JG Annotated Mild CCOC(=O)/C(C)=C/[C@@H](NC(=O)[C@@H](NC(=O)/C(=C/c1ccsc1)NC(C)=O)C(C)(C)C)C(C)C ZINC000169337587 JG Annotated Anodyne C=CC[C@@H]1C=C[C@@H](O/N=C2/c3cc(OC)ccc3O[C@@H](c3cccc(OC)c3)[C@@H]2O)[C@@H](CO)O1 ZINC000169337664 JG Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C2\c3cc(OC)ccc3O[C@@H](c3cccc(OC)c3)[C@@H]2O)[C@@H](CO)O1 ZINC000169337666 JG Annotated Mild CCN(C(C)=O)c1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)cnc1OC ZINC000169338522 JG Annotated Anodyne CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)/C(=C/c1ccoc1)NC(C)=O)C(C)(C)C ZINC000169338824 JG Annotated Anodyne C/C1=C\C(=O)OC[C@]23CC[C@]4(C)C[C@H]4[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C/C(=O)OCC1)[C@@]3(C)[C@]21CO1 ZINC000169339396 JG Annotated Anodyne C/C1=C/C(=O)OC[C@]23CC[C@]4(C)C[C@H]4[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C\C(=O)OCC1)[C@@]3(C)[C@]21CO1 ZINC000169339402 JG Annotated Anodyne O=C1C(NS(=O)(=O)c2ccc(Br)s2)=C(N2CCSCC2)C(=O)c2ccccc21 ZINC000169339909 JG Annotated Mild CCNC(=O)Nc1nc2cc(-c3ccc(OCCN(C)C)nc3)c(OC[C@@H]3CCOC3)nc2s1 ZINC000169340134 JG Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3ccc(OCCN(C)C)nc3)c(OC[C@H]3CCOC3)nc2s1 ZINC000169340136 JG Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cncc(OCCN(C)C)c3)c(OC[C@@H]3CCOC3)nc2s1 ZINC000169340137 JG Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cncc(OCCN(C)C)c3)c(OC[C@H]3CCOC3)nc2s1 ZINC000169340138 JG Annotated Anodyne CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@@H](Cc3ccccc3)N(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000169340235 JG Annotated Mild COC(=O)C(C(=O)OC)[C@@H]1O[C@@]23CN(S(=O)(=O)c4ccc(C)cc4)C=C[C@@]2(C)[C@@H]3c2ccccc21 ZINC000169340595 JG Annotated Anodyne COC(=O)C(C(=O)OC)[C@H]1O[C@@]23CN(S(=O)(=O)c4ccc(C)cc4)C=C[C@@]2(C)[C@@H]3c2ccccc21 ZINC000169340597 JG Annotated Anodyne COC(=O)C(C(=O)OC)[C@H]1O[C@]23CN(S(=O)(=O)c4ccc(C)cc4)C=C[C@@]2(C)[C@@H]3c2ccccc21 ZINC000169340599 JG Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000169340657 JG Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000169340660 JG Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](C/C=N\O[C@@H](C)CN2CCCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000169340831 JG Annotated Mild CC(=O)OC[C@@H]1O[C@@H](C/C=N/O[C@@H](C)CN2CCCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000169340835 JG Annotated Mild CC(=O)OC[C@H]1O[C@@H](C/C=N\O[C@@H](C)CN2CCCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000169340836 JG Annotated Mild CC(=O)OC[C@H]1O[C@@H](C/C=N/O[C@@H](C)CN2CCCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000169340839 JG Annotated Mild O=C1C(NS(=O)(=O)c2ccc(Br)cc2)=C(N2CCSCC2)C(=O)c2ccccc21 ZINC000169341543 JG Annotated Mild O=C(NCc1ccc(S(=O)(=O)c2cncc(C(F)(F)F)c2)cc1)c1cnc2[nH]ncc2c1 ZINC000169342472 JG Annotated Anodyne C[C@@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@@H](O1)[C@@H](Cl)[C@@H]2C4 ZINC000169342639 JG Annotated Reactive C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@]23C[C@H]4[C@H](Cl)[C@H](O[C@]4(C)C2)[C@H]31 ZINC000169342641 JG Annotated Reactive C[C@@]12C[C@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@@H](O1)[C@@H](Cl)[C@@H]2C4 ZINC000169342643 JG Annotated Reactive C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@@]23C[C@H]4[C@H](Cl)[C@H](O[C@]4(C)C2)[C@@H]13 ZINC000169342646 JG Annotated Reactive Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CCOCC5)nc4C3)ncc2Cl)c(C)c1 ZINC000169342739 JG Annotated Anodyne CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1oc([N+](=O)[O-])c(COC(C)=O)c12 ZINC000169343018 JG Annotated Bother C=C1[C@@H](O)[C@H]2/C=C\C[C@H](C)CCC[C@H](O)/C=C\C(=O)O[C@@]23C(=O)N[C@H](Cc2ccccc2)[C@H]3[C@@H]1C ZINC000169343087 JG Annotated Mild C=C1[C@@H](O)[C@H]2/C=C\C[C@H](C)CCC[C@H](O)/C=C/C(=O)O[C@@]23C(=O)N[C@H](Cc2ccccc2)[C@H]3[C@@H]1C ZINC000169343089 JG Annotated Mild C=C1[C@@H](O)[C@H]2/C=C/C[C@H](C)CCC[C@H](O)/C=C\C(=O)O[C@@]23C(=O)N[C@H](Cc2ccccc2)[C@H]3[C@@H]1C ZINC000169343092 JG Annotated Mild C=C1[C@@H](O)[C@H]2/C=C/C[C@H](C)CCC[C@H](O)/C=C/C(=O)O[C@@]23C(=O)N[C@H](Cc2ccccc2)[C@H]3[C@@H]1C ZINC000169343095 JG Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C2=NO[C@@H](CN4CCOCC4)C2)[C@]13C(=O)O ZINC000169343857 JG Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](CN4CCOCC4)C2)[C@]13C(=O)O ZINC000169343859 JG Annotated Mild Cc1ccc(CN2C(=O)CSC[C@H]2C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000169345816 JG Annotated Anodyne Cc1ccc(CN2C(=O)CSC[C@H]2C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000169345822 JG Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCC2(CC1)OCC(O)CO2 ZINC000169345999 JG Annotated Anodyne O=C1COC2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)CC2)OC1 ZINC000169346000 JG Annotated Anodyne O=C1OC2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)CC2)CN1CCO ZINC000169346014 JG Annotated Anodyne Cc1ccc(OCc2cn(CCOc3ccc(/C=N/NC(=O)c4ccncc4)cc3)nn2)cc1 ZINC000169346139 JG Annotated Reactive Cn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(C#N)cc3)n2c1=O ZINC000169346541 JG Annotated Mild O=C(/C=C/c1ccc(OCCO)c(OCCO)c1)NCCn1c(C(F)(F)F)cc2ccccc21 ZINC000169348246 JG Annotated Anodyne CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1CF ZINC000169348402 JG Annotated Mild COc1ccc(-c2cc(-c3c(OC)cc(OC)c([C@@H]4CCN(C)[C@@H]4CO)c3O)n[nH]2)c(OC)c1 ZINC000169348997 JG Annotated Anodyne COc1ccc(-c2cc(-c3c(OC)cc(OC)c([C@H]4CCN(C)[C@@H]4CO)c3O)n[nH]2)c(OC)c1 ZINC000169348998 JG Annotated Anodyne COCCOc1ccc(-c2ccc(COc3ncccc3C(=O)N3CC[C@@H](O)C3)nc2)c(C)c1 ZINC000169349160 JG Annotated Anodyne COCCOc1ccc(-c2ccc(COc3ncccc3C(=O)N3CC[C@H](O)C3)nc2)c(C)c1 ZINC000169349161 JG Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)[C@@H](n3cc(COc4ccc(Cl)cc4)nn3)CC(=O)[C@@]21C ZINC000169349668 JG Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2OC(=O)CCCCCCC)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000169349781 JG Annotated Mild C=C1C(=O)[C@@]23C(=O)O[C@H]4CCC(C)(C)[C@H]5[C@H](O)OC[C@@]45[C@@H]2CC[C@@H]1[C@H]3OC(=O)/C=C/c1ccccc1 ZINC000169349792 JG Annotated Mild COC(=O)c1c2cc[n+](CCOCCNC(=O)N(C)N=O)cc2c(C)c2c1[nH]c1ccccc12 ZINC000169350004 JG Annotated Reactive Cc1c2c[n+](CCOCCNC(=O)N(C)N=O)ccc2c(C)c2c1c1cc(O)ccc1n2C ZINC000169350006 JG Annotated Reactive C=C1C(=O)[C@@]23C(=O)O[C@H]4CCC(C)(C)[C@H]5C(=O)OC[C@@]45[C@@H]2CC[C@@H]1[C@H]3OC(=O)c1ccc(F)cc1 ZINC000169350101 JG Annotated Mild CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc21 ZINC000169350140 JG Annotated Anodyne CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3F)cc21 ZINC000169350141 JG Annotated Anodyne CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)s3)cc21 ZINC000169350142 JG Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)[C@@H](n3cc(COc4ccccc4Cl)nn3)CC(=O)[C@@]21C ZINC000169350444 JG Annotated Mild CN1CCN(c2ccc3nc(N)n(C[C@@H](O)c4ccc(C(F)(F)F)cc4Cl)c3n2)CC1 ZINC000169351115 JG Annotated Anodyne CN1CCN(c2ccc3nc(N)n(C[C@H](O)c4ccc(C(F)(F)F)cc4Cl)c3n2)CC1 ZINC000169351116 JG Annotated Anodyne Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](Nc2cc(=O)n(C)c4cc(F)c(F)cc24)C3)c1Cl ZINC000169351705 JG Annotated Anodyne CCn1nc(-n2cc(COc3cc(C(F)(F)F)nc(N)n3)nn2)c2ccc(C(F)(F)F)nc21 ZINC000169351940 JG Annotated Anodyne C=CCn1nc(-n2cc(COc3cc(C(F)(F)F)nc(N)n3)nn2)c2ccc(C(F)(F)F)nc21 ZINC000169351942 JG Annotated Mild O=C(NCc1ccc(F)cc1F)c1c(NCCc2ccccc2)c2cccnc2n(O)c1=O ZINC000169352007 JG Annotated Anodyne COC(=O)[C@@H](Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12)c1ccccc1 ZINC000169352020 JG Annotated Anodyne COC(=O)[C@H](Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12)c1ccccc1 ZINC000169352021 JG Annotated Anodyne CN(C)c1ccc(/C=C2/CNC/C(=C\c3ccc(N(C)C)cc3[N+](=O)[O-])C2=O)c([N+](=O)[O-])c1 ZINC000169352058 JG Annotated Mild CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1-c1ccco1)C(=O)O ZINC000169352696 JG Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1-c1ccoc1)C(=O)O ZINC000169352698 JG Annotated Anodyne CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000169353162 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000169353164 JG Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000169353166 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000169353168 JG Annotated Anodyne COCn1c(CC(COCc2ccccc2)COCc2ccccc2)c(C)c(=O)n(COC)c1=O ZINC000169353937 JG Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](OC(=O)CCCC(=O)NCCCCCCO)C[C@H]2[C@H](O)/C=C\C(=O)O1 ZINC000169354423 JG Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CCCC(=O)NCCCCCCO)C[C@H]2[C@H](O)/C=C\C(=O)O1 ZINC000169354425 JG Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](OC(=O)CCCC(=O)NCCCCCCO)C[C@H]2[C@H](O)/C=C/C(=O)O1 ZINC000169354426 JG Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](CCO/N=C(/C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000169354553 JG Annotated Mild CC(=O)OC[C@H]1O[C@@H](CCO/N=C(\C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000169354554 JG Annotated Mild CC(=O)OC[C@H]1O[C@@H](CCO/N=C(/C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000169354555 JG Annotated Mild O=C1CC/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CO1 ZINC000169354635 JG Annotated Anodyne O=C1CCCC/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N2CCC[C@@H]2CO1 ZINC000169355394 JG Annotated Anodyne C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@H]2C[C@@H]1[C@@H](O)C3 ZINC000169356529 JG Annotated Mild C=C1[C@H](O)[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@@H]2C[C@H]1CC3 ZINC000169356533 JG Annotated Mild C=C1[C@H]2CC[C@]3(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@@H]3C2)[C@H]1O ZINC000169356534 JG Annotated Mild CO[C@H]1/C=C\CC/C=C\C(=O)O[C@@H](/C(C)=C/[C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)[C@@H](C)[C@@H]1O ZINC000169356826 JG Annotated Anodyne CO[C@H]1/C=C/CC/C=C\C(=O)O[C@@H](/C(C)=C/[C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)[C@@H](C)[C@@H]1O ZINC000169356827 JG Annotated Anodyne CO[C@H]1/C=C\CC/C=C/C(=O)O[C@@H](/C(C)=C/[C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)[C@@H](C)[C@@H]1O ZINC000169356828 JG Annotated Anodyne C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C\CC/C=C\C=C/[C@@H]1C ZINC000169357489 JG Annotated Anodyne C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C/CC/C=C\C=C/[C@@H]1C ZINC000169357490 JG Annotated Anodyne C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C\CC/C=C/C=C\[C@@H]1C ZINC000169357491 JG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CC[C@@H](N(C)c4ccc([N+](=O)[O-])o4)[C@@H](C)C3)c(F)c2)C(=O)O1 ZINC000169358574 JG Annotated Bother COc1cc(C(=O)C(=O)N2[C@H]3CCC[C@H]2[C@@H]2c4cc(C)ccc4CCN2C3=O)cc(OC)c1OC ZINC000169362389 JG Annotated Anodyne CCN1CCC[C@@H](n2cc(S(=O)(=O)C3=C(Cl)N[C@@H]4SC=CN34)c3cccnc32)C1 ZINC000169362564 JG Annotated Anodyne CCN1CCC[C@H](n2cc(S(=O)(=O)C3=C(Cl)N[C@@H]4SC=CN34)c3cccnc32)C1 ZINC000169362565 JG Annotated Anodyne CN(C[C@@H]1C[C@H](C2=N[C@@H](c3cccc(OCc4ccccc4)c3)[C@@H]3C(N)=NC=CN23)C1)N1CCNCC1 ZINC000169362606 JG Annotated Anodyne CN(C[C@@H]1C[C@H](C2=N[C@H](c3cccc(OCc4ccccc4)c3)[C@@H]3C(N)=NC=CN23)C1)N1CCNCC1 ZINC000169362607 JG Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169363133 JG Annotated Anodyne CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169363134 JG Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169363135 JG Annotated Anodyne CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169363136 JG Annotated Anodyne CO[C@@H]1[C@@H](C)O[C@@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)[C@@H]2O[C@H]12 ZINC000169365609 JG Annotated Mild CO[C@@H]1[C@@H](C)O[C@@H](OC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)[C@@H]2O[C@H]12 ZINC000169365610 JG Annotated Mild CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000169366094 JG Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000169366095 JG Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](C)[C@H](O)[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000169366096 JG Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCO3)[C@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O ZINC000169366938 JG Annotated Clean O=C1[C@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCO3)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O ZINC000169366939 JG Annotated Clean C[C@@H]1CC[C@@H]2[C@@H](C)[C@](C(=O)OCCC(=O)O)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000169367224 JG Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@](C(=O)OCCC(=O)O)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169367225 JG Annotated Reactive C[C@@H]1CC[C@@H]2[C@@H](C)[C@](C(=O)OCCC(=O)O)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000169367226 JG Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@](C(=O)OCCC(=O)O)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000169367228 JG Annotated Reactive CO[C@@H]1[C@@H](C)O[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)[C@@H]2O[C@@H]21 ZINC000169367704 JG Annotated Mild CO[C@@H]1[C@@H](C)O[C@H](OC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)[C@@H]2O[C@@H]21 ZINC000169367705 JG Annotated Mild CN1CCN(CC(=O)N[C@H]2CC3(N(C)C)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169370468 JG Annotated Anodyne C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3O)NC(=O)[C@]23OC(=O)/C=C\[C@H](O)CCC[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000169370480 JG Annotated Mild C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3O)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000169370481 JG Annotated Mild C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3O)NC(=O)[C@]23OC(=O)/C=C\[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000169370483 JG Annotated Mild C/C1=C\CC(=O)O[C@@]23C(=O)N[C@@H](Cc4ccc(O)cc4)[C@@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3/C=C\C[C@H](C)C1=O ZINC000169370606 JG Annotated Mild C/C1=C/CC(=O)O[C@@]23C(=O)N[C@@H](Cc4ccc(O)cc4)[C@@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3/C=C\C[C@H](C)C1=O ZINC000169370607 JG Annotated Mild C/C1=C\CC(=O)O[C@@]23C(=O)N[C@@H](Cc4ccc(O)cc4)[C@@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3/C=C/C[C@H](C)C1=O ZINC000169370608 JG Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cnc(O)nc2O)[C@@]13C(=O)O ZINC000169372903 JG Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cnc(O)nc2O)[C@@]13C(=O)O ZINC000169372904 JG Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cnc(O)nc2O)[C@@]13C(=O)O ZINC000169372905 JG Annotated Mild C[C@@]12O[C@H]3C[C@@H](O1)[C@]1(C=O)[C@H]4CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@@]5(O)[C@@H]4CC[C@@]1(C3)O2 ZINC000169373514 JG Annotated Mild C[C@@]12O[C@H]3C[C@@H](O1)[C@]1(C=O)[C@H]4CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@@]5(O)[C@@H]4CC[C@]1(C3)O2 ZINC000169373515 JG Annotated Mild C[C@@]12O[C@@H]3C[C@@H](O1)[C@]1(C=O)[C@H]4CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@@]5(O)[C@@H]4CC[C@@]1(C3)O2 ZINC000169373516 JG Annotated Mild C[C@@]12O[C@@H]3C[C@@H](O1)[C@]1(C=O)[C@H]4CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@@]5(O)[C@@H]4CC[C@]1(C3)O2 ZINC000169373517 JG Annotated Mild CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000169423974 JG Annotated Mild C=C(C)[C@@H]1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)[C@@]23O[C@@]12C(=O)C(OC)=CC3=O ZINC000169557344 JG Annotated Mild CC[C@H]1[C@@H](O[C@]2(C)OC[C@H](C)C[C@H]2O)C[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000169621667 JG Annotated Anodyne CC[C@H]1[C@@H](O[C@]2(C)OC[C@H](C)C[C@@H]2O)C[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000169621668 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(CO)[C@H]4CC[C@]23C)C1 ZINC000169638150 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3[C@@H]4CC(=O)[C@@]3(C[C@H]12)C[C@@]41C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@H]3C[C@@H]21 ZINC000169643294 JG Annotated Mild CO[C@H]1C[C@H](C)[C@@H]2C[C@H]3OC(=O)C=C4[C@](C)([C@@H]5OC(=O)C=C5C)C[C@@H](OC)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000169643921 JG Annotated Anodyne C=C(C)[C@H]1C[C@@]2(C)C(=O)O[C@]1(C(=O)[C@@H](C)CC)[C@]2(O)[C@]12C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(C1)OC2=O ZINC000169651376 JG Annotated Mild CC1=C/C(=C/[C@@H](C)[C@@]23OC(=O)C[C@]2(C)[C@H]2C[C@]4(O)C[C@@H]5C(=O)OC(C)(C)[C@@H]5CC[C@@H]4[C@H]2O3)OC1=O ZINC000169667225 JG Annotated Anodyne CC1=C/C(=C/[C@H](C)[C@@]23OC(=O)C[C@]2(C)[C@H]2C[C@]4(O)C[C@@H]5C(=O)OC(C)(C)[C@@H]5CC[C@@H]4[C@H]2O3)OC1=O ZINC000169667226 JG Annotated Anodyne CC1=C[C@H]2[C@@H]3C[C@@H](C)[C@]4(OCO[C@]45COCO5)[C@@]3(C)C[C@@H](O)[C@@H]2[C@@]2(C)C/C(=C\O)C(=O)C=C12 ZINC000169684343 JG Annotated Mild CC1=C[C@H]2[C@@H]3C[C@H](C)[C@]4(OCO[C@]45COCO5)[C@@]3(C)C[C@@H](O)[C@@H]2[C@@]2(C)C/C(=C\O)C(=O)C=C12 ZINC000169684344 JG Annotated Mild CN=[S@@](C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)cc1OC ZINC000169684886 JG Annotated Anodyne CN=[S@](C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)cc1OC ZINC000169684887 JG Annotated Anodyne CN=[S@@](C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1OC ZINC000169684909 JG Annotated Anodyne CN=[S@](C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1OC ZINC000169684910 JG Annotated Anodyne CC[S@@](=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](COC)[C@H](C)O)n2)cc1 ZINC000169684947 JG Annotated Anodyne CC[S@](=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](COC)[C@H](C)O)n2)cc1 ZINC000169684948 JG Annotated Anodyne CCc1sc2c(NC(=O)C3(O)CC3)c(OC)nn2c1-c1c(OC)cc(COC)cc1OC ZINC000169685050 JG Annotated Anodyne CCOC(=O)[C@H](C#N)/C=N/c1ccc(S(=O)(=O)c2ccc(/N=C/[C@H](C#N)C(=O)OCC)cc2)cc1 ZINC000169685462 JG Annotated Mild CCOC(=O)[C@H](C#N)/C=N/c1ccc(S(=O)(=O)c2ccc(/N=C/[C@@H](C#N)C(=O)OCC)cc2)cc1 ZINC000169685463 JG Annotated Mild CCOC(=O)[C@@H](C#N)/C=N/c1ccc(S(=O)(=O)c2ccc(/N=C/[C@H](C#N)C(=O)OCC)cc2)cc1 ZINC000169685464 JG Annotated Mild C[C@]12CC[C@H](C[C@H](N3C(=O)[C@H](N[C@@H](CO)C(=O)O)Nc4ccccc43)C1)N2C1CCCCCCC1 ZINC000169685509 JG Annotated Anodyne C[C@]12CC[C@H](C[C@H](N3C(=O)[C@@H](N[C@@H](CO)C(=O)O)Nc4ccccc43)C1)N2C1CCCCCCC1 ZINC000169685510 JG Annotated Anodyne Nc1ncc2c(C(=O)c3cncc(NC(=O)Cn4ccc(C(F)(F)F)n4)c3)cn(C34CC(C3)C4)c2n1 ZINC000169686345 JG Annotated Anodyne N#Cc1ccc(CC(=O)Nc2cncc(C(=O)c3cn(C45CC(C4)C5)c4nc(N)ncc34)c2)cc1 ZINC000169686430 JG Annotated Mild Nc1ncc2c(C(=O)c3cncc(NC(=O)Cc4ccc(Cl)cn4)c3)cn(C34CC(C3)C4)c2n1 ZINC000169686431 JG Annotated Anodyne CC1=C(COc2ccc(CC[C@@](C)(C(=O)NO)S(C)(=O)=O)cc2)N[C@@H](c2cccc(C)c2)O1 ZINC000169686520 JG Annotated Bother CC1=C(COc2ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc2)N[C@@H](c2cccc(C)c2)O1 ZINC000169686521 JG Annotated Bother CC1=C(COc2ccc(CC[C@@](C)(C(=O)NO)S(C)(=O)=O)cc2)N[C@H](c2cccc(C)c2)O1 ZINC000169686522 JG Annotated Bother CC1=C(COc2ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc2)N[C@H](c2cccc(C)c2)O1 ZINC000169686523 JG Annotated Bother COc1cc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000169687286 JG Annotated Anodyne COc1cc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000169687287 JG Annotated Anodyne COc1cc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000169687288 JG Annotated Anodyne COc1cc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000169687289 JG Annotated Anodyne CCOC(=O)[C@@H]1C(C)=Nc2ccccc2N=C1NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000169687381 JG Annotated Anodyne CCOC(=O)[C@H]1C(C)=Nc2ccccc2N=C1NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000169687382 JG Annotated Anodyne CCCC1=NC(=O)N[C@@H](c2cc(Cl)cc(OC)c2OCC(=O)OCC)[C@@H]1C(=O)OCC ZINC000169687670 JG Annotated Anodyne CCCC1=NC(=O)N[C@H](c2cc(Cl)cc(OC)c2OCC(=O)OCC)[C@@H]1C(=O)OCC ZINC000169687671 JG Annotated Anodyne CCCC1=NC(=O)N[C@@H](c2cc(Cl)cc(OC)c2OCC(=O)OCC)[C@H]1C(=O)OCC ZINC000169687672 JG Annotated Anodyne CCCC1=NC(=O)N[C@H](c2cc(Cl)cc(OC)c2OCC(=O)OCC)[C@H]1C(=O)OCC ZINC000169687673 JG Annotated Anodyne Cc1cccc(COc2ccc(C(=O)[C@@H]3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccncc3)cc2)c1 ZINC000169687738 JG Annotated Anodyne Cc1cccc(COc2ccc(C(=O)[C@@H]3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccncc3)cc2)c1 ZINC000169687739 JG Annotated Anodyne COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)OC(=N)[C@@H]2C#N)ccc1OCCN1CCOCC1 ZINC000169688919 JG Annotated Mild COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)OC(=N)[C@@H]2C#N)ccc1OCCN1CCOCC1 ZINC000169688920 JG Annotated Mild COc1ccc(OC)c([C@@H]2[C@@H](C(=O)Nc3ccccc3OC)C(C)=Nc3nc(CCCO)nn32)c1 ZINC000169689056 JG Annotated Anodyne COc1ccc(OC)c([C@H]2[C@@H](C(=O)Nc3ccccc3OC)C(C)=Nc3nc(CCCO)nn32)c1 ZINC000169689057 JG Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@H](C(=O)Nc3ccccc3OC)C(C)=Nc3nc(CCCO)nn32)c1 ZINC000169689058 JG Annotated Anodyne COc1ccc(OC)c([C@H]2[C@H](C(=O)Nc3ccccc3OC)C(C)=Nc3nc(CCCO)nn32)c1 ZINC000169689059 JG Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(C/N=N/c3nc(O)c(CC(=O)O)s3)c2)cc1 ZINC000169689116 JG Annotated Clean C[C@]12C=C[C@@]3(O1)[C@H](C(=O)N(c1cccnc1)[C@H]3C(=O)NC1CCCCC1)[C@@H]2C(=O)Nc1ccccc1 ZINC000169689344 JG Annotated Anodyne C[C@]12C=C[C@]3(O1)[C@H](C(=O)N(c1cccnc1)[C@H]3C(=O)NC1CCCCC1)[C@@H]2C(=O)Nc1ccccc1 ZINC000169689345 JG Annotated Anodyne C[C@@]12C=C[C@]3(O1)[C@H](C(=O)N(c1cccnc1)[C@H]3C(=O)NC1CCCCC1)[C@@H]2C(=O)Nc1ccccc1 ZINC000169689347 JG Annotated Anodyne Cc1cc(C(=O)[C@@H]2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)ccc1OCc1ccccc1 ZINC000169689348 JG Annotated Anodyne Cc1cc(C(=O)[C@H]2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)ccc1OCc1ccccc1 ZINC000169689349 JG Annotated Anodyne CCOC(=O)[C@@H]1C(CC)=Nc2ccccc2N=C1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O ZINC000169689402 JG Annotated Anodyne CCOC(=O)[C@H]1C(CC)=Nc2ccccc2N=C1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O ZINC000169689403 JG Annotated Anodyne CCOC(=O)[C@@H]1C(CC)=Nc2ccccc2N=C1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000169689404 JG Annotated Anodyne CCOC(=O)[C@H]1C(CC)=Nc2ccccc2N=C1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000169689405 JG Annotated Anodyne Oc1ccc(Br)cc1C/N=N/c1nc(N2CCCCC2)nc(N2CCOCC2)n1 ZINC000169689548 JG Annotated Clean COC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(C)o3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000169689634 JG Annotated Bother COC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(C)o3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000169689635 JG Annotated Bother COc1nccnc1NS(=O)(=O)c1ccc(/N=C/c2c(C)[nH]n(-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000169689732 JG Annotated Mild CCCc1[nH]nc2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OCC)c1)[C@@H](C#N)C(=N)O2 ZINC000169691028 JG Annotated Mild CCCc1[nH]nc2c1[C@H](c1ccc(OCCN3CCOCC3)c(OCC)c1)[C@@H](C#N)C(=N)O2 ZINC000169691029 JG Annotated Mild BrC(=C\Cc1ccccc1)/N=N/c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000169691231 JG Annotated Clean CCN(CC)CCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@@H]1c1cc(OC)ccc1OC ZINC000169691380 JG Annotated Anodyne CCN(CC)CCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1cc(OC)ccc1OC ZINC000169691381 JG Annotated Anodyne CCN(CC)CCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@H]1c1cc(OC)ccc1OC ZINC000169691382 JG Annotated Anodyne CCN(CC)CCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@H]1c1cc(OC)ccc1OC ZINC000169691383 JG Annotated Anodyne O=C(O)CCCCCCc1c(O)n(Cc2ccccc2)c(=O)n1NC[C@@H](O)C1CCCCC1 ZINC000169692597 JG Annotated Anodyne O=C(O)CCCCCCc1c(O)n(Cc2ccccc2)c(=O)n1NC[C@H](O)C1CCCCC1 ZINC000169692598 JG Annotated Anodyne COc1ccc(OC)c(-n2c(O)c(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)c(=O)[nH]c2=S)c1 ZINC000169693167 JG Annotated Mild COc1ccc(-n2c(O)c(/C=N/NS(=O)(=O)c3ccc(C)cc3)c3ccccc3c2=O)cc1OC ZINC000169693268 JG Annotated Mild CN(C)CCN(C(=O)c1ccc(-n2c(O)ccc2O)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000169693759 JG Annotated Anodyne Cc1ccc(-n2c(O)c(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)c3ccccc3c2=O)cc1 ZINC000169693961 JG Annotated Reactive Cc1ccc(-n2c(O)c(/C=N/NC(=O)[C@H]3COc4ccccc4O3)c3ccccc3c2=O)cc1 ZINC000169693962 JG Annotated Reactive CC[S@@](=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](COC)[C@H](C)O)n2)cc1 ZINC000169694341 JG Annotated Anodyne CC[S@](=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](COC)[C@H](C)O)n2)cc1 ZINC000169694342 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)(C)C)[C@@H]3c3ccccc3OCCO)cc2)no1 ZINC000169695011 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)(C)C)[C@@H]3c3ccccc3OCCO)cc2)no1 ZINC000169695012 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)(C)C)[C@H]3c3ccccc3OCCO)cc2)no1 ZINC000169695013 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)(C)C)[C@H]3c3ccccc3OCCO)cc2)no1 ZINC000169695014 JG Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCC(N)=O ZINC000169695181 JG Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCC(N)=O ZINC000169695182 JG Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCC(N)=O ZINC000169695183 JG Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCC(N)=O ZINC000169695185 JG Annotated Anodyne CNC(=O)COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695190 JG Annotated Anodyne CNC(=O)COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695191 JG Annotated Anodyne CNC(=O)COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695192 JG Annotated Anodyne CNC(=O)COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695193 JG Annotated Anodyne CNC(=O)COc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695375 JG Annotated Anodyne CNC(=O)COc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695376 JG Annotated Anodyne CNC(=O)COc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695377 JG Annotated Anodyne CNC(=O)COc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695378 JG Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1cccnc1OCC(N)=O ZINC000169695379 JG Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1cccnc1OCC(N)=O ZINC000169695380 JG Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1OCC(N)=O ZINC000169695381 JG Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1OCC(N)=O ZINC000169695382 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OCCO)cc2)no1 ZINC000169695636 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OCCO)cc2)no1 ZINC000169695637 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OCCO)cc2)no1 ZINC000169695638 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OCCO)cc2)no1 ZINC000169695639 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OCCCO)cc2)no1 ZINC000169696200 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OCCCO)cc2)no1 ZINC000169696201 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OCCCO)cc2)no1 ZINC000169696202 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OCCCO)cc2)no1 ZINC000169696203 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3N3CCOCC3)cc2)no1 ZINC000169696361 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3N3CCOCC3)cc2)no1 ZINC000169696362 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3N3CCOCC3)cc2)no1 ZINC000169696363 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3N3CCOCC3)cc2)no1 ZINC000169696364 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OCC#N)cc2)no1 ZINC000169696445 JG Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OCC#N)cc2)no1 ZINC000169696446 JG Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OCC#N)cc2)no1 ZINC000169696447 JG Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OCC#N)cc2)no1 ZINC000169696448 JG Annotated Mild CNC(=O)CCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696756 JG Annotated Anodyne CNC(=O)CCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696757 JG Annotated Anodyne CNC(=O)CCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696758 JG Annotated Anodyne CNC(=O)CCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696759 JG Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)c4n[nH]c(C(C)C)c4[C@H]3c3cccnc3OCCO)cc2)no1 ZINC000169696809 JG Annotated Anodyne COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(CO)CO)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696974 JG Annotated Anodyne O=C(C[C@@H]1COCCO1)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000169697176 JG Annotated Anodyne O=C(C[C@H]1COCCO1)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000169697177 JG Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000169697230 JG Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000169697232 JG Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)c1 ZINC000169697254 JG Annotated Anodyne CCc1ncnc(N2CCC(O)CC2)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000169697513 JG Annotated Mild COC1CCN(c2ncnc(C)c2C#Cc2cnc(C)c(NS(=O)(=O)c3ccccc3)c2)CC1 ZINC000169697517 JG Annotated Mild COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(NOCC[C@H](C)CO)=N2)n1 ZINC000169699098 JG Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CCC[C@@H](N)CC3)c(N)s2)c1F ZINC000169699284 JG Annotated Anodyne Cn1ncc(NC(=O)c2nc(-c3cc(F)ccc3F)sc2N)c1N1CC[C@H](N)CC(F)(F)C1 ZINC000169699342 JG Annotated Anodyne Cn1ncc(NC(=O)c2nc(-c3cc(F)ccc3F)sc2N)c1N1CC[C@@H](N)CC(F)(F)C1 ZINC000169699343 JG Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@H](N)CC(F)(F)C3)c(N)s2)c1 ZINC000169699344 JG Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@@H](N)CC(F)(F)C3)c(N)s2)c1 ZINC000169699345 JG Annotated Anodyne CCn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CC[C@H](F)[C@H](N)CC1 ZINC000169699423 JG Annotated Anodyne CCn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1 ZINC000169699424 JG Annotated Anodyne CO[C@@H]1CC[C@@]2(c3c(NC(=O)c4nc(-c5ccccc5F)sc4N)cnn3C)CC[C@@H]1N2 ZINC000169699468 JG Annotated Anodyne CO[C@H]1CC[C@@]2(c3c(NC(=O)c4nc(-c5ccccc5F)sc4N)cnn3C)CC[C@@H]1N2 ZINC000169699469 JG Annotated Anodyne CO[C@@H]1CC[C@]2(c3c(NC(=O)c4nc(-c5ccccc5F)sc4N)cnn3C)CC[C@@H]1N2 ZINC000169699470 JG Annotated Anodyne CO[C@H]1CC[C@]2(c3c(NC(=O)c4nc(-c5ccccc5F)sc4N)cnn3C)CC[C@@H]1N2 ZINC000169699471 JG Annotated Anodyne COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21N=C(N)N(Cc2nnc(C)s2)C1=O ZINC000169700445 JG Annotated Mild COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@]21N=C(N)N(Cc2nnc(C)s2)C1=O ZINC000169700446 JG Annotated Mild O=S(=O)(Nc1cncc(-c2ccc3ncnc(OC4CCOCC4)c3n2)c1)c1ccccc1 ZINC000169700777 JG Annotated Anodyne CN1CCC(Oc2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)nc23)CC1 ZINC000169700780 JG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccnc4-c4ccnn4[C@H]4CCCCO4)C[C@H]3C2)n1 ZINC000169700875 JG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccnc4-c4ccnn4[C@H]4CCCCO4)C[C@@H]3C2)n1 ZINC000169700876 JG Annotated Anodyne CN1CCN(c2nccn3c(-c4ccnc(N[C@@H](CCN)c5cccc(Cl)c5)n4)cnc23)CC1 ZINC000169701246 JG Annotated Anodyne CN1CCN(c2nccn3c(-c4ccnc(N[C@H](CCN)c5cccc(Cl)c5)n4)cnc23)CC1 ZINC000169701247 JG Annotated Anodyne NC[C@@H](Nc1cccc(-c2cnc3c(NCCN4CCOCC4)nccn23)n1)c1cccc(Cl)c1 ZINC000169701279 JG Annotated Anodyne NC[C@H](Nc1cccc(-c2cnc3c(NCCN4CCOCC4)nccn23)n1)c1cccc(Cl)c1 ZINC000169701280 JG Annotated Anodyne COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CC[C@@]6(CCOC6)C5)cc4)C3)o2)cc1 ZINC000169701419 JG Annotated Anodyne COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CC[C@]6(CCOC6)C5)cc4)C3)o2)cc1 ZINC000169701420 JG Annotated Anodyne COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CC6(CCCO6)C5)cc4)C3)o2)cc1 ZINC000169701421 JG Annotated Anodyne O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CC[C@@]4(CCOC4)C3)cc2)C1 ZINC000169701422 JG Annotated Anodyne O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CC[C@]4(CCOC4)C3)cc2)C1 ZINC000169701423 JG Annotated Anodyne Cc1cc(OC2CN(C(=O)c3nnc(-c4ccccc4)o3)C2)ccc1CN1CC2(CCOC2)C1 ZINC000169701425 JG Annotated Anodyne Cc1cc(OC2CN(C(=O)c3nnc(-c4ccccc4)o3)C2)ccc1CN1CC2(CCCO2)C1 ZINC000169701428 JG Annotated Anodyne COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCCC56COC6)cc4)C3)o2)cc1 ZINC000169701429 JG Annotated Anodyne COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCC[C@@]56CCOC6)cc4)C3)o2)cc1 ZINC000169701431 JG Annotated Anodyne COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCC[C@]56CCOC6)cc4)C3)o2)cc1 ZINC000169701432 JG Annotated Anodyne O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CCC[C@@]34CCOC4)cc2)C1 ZINC000169701433 JG Annotated Anodyne O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CCC[C@]34CCOC4)cc2)C1 ZINC000169701434 JG Annotated Anodyne COc1cc(OC2CN(C(=O)c3nnc(-c4ccccc4)o3)C2)ccc1CN1CCCC12COC2 ZINC000169701435 JG Annotated Anodyne COc1cc(CN2CCCC23COC3)ccc1OC1CN(C(=O)c2nnc(-c3ccccc3)o2)C1 ZINC000169701436 JG Annotated Anodyne O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CC[C@@]4(CCCO4)C3)cc2)C1 ZINC000169701439 JG Annotated Anodyne O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CC[C@]4(CCCO4)C3)cc2)C1 ZINC000169701440 JG Annotated Anodyne C[C@H](Oc1ccc(N2CCC3(CCC(O)(CN4CCCC4=O)CC3)C2=O)cn1)C(F)(F)F ZINC000169701642 JG Annotated Anodyne CCNC(=O)c1c(NC(=O)c2nc(C(C)=O)cnc2Nc2cncnc2)sc2c1CCCC2 ZINC000169701808 JG Annotated Anodyne O=C(Nc1c(C(=O)N2CCC2)ccc(F)c1F)c1nc(C2CC2)cnc1Nc1cncnc1 ZINC000169701929 JG Annotated Anodyne COCCN(C)CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2)CC3)n1 ZINC000169702280 JG Annotated Anodyne CN(C)C(=O)Cn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2ccccc2Cl)CC3)n1 ZINC000169702341 JG Annotated Anodyne Cn1nc(Nc2nc(N[C@@H](COC(=O)NO)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C ZINC000169702577 JG Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C(Cc2c[nH]c3ncccc23)=C/C1=N/c1ccc(OCCO)cc1F ZINC000169702595 JG Annotated Mild CCOC(=O)[C@H]1C(=O)C(Cc2c[nH]c3ncccc23)=C/C1=N/c1ccc(OCCO)cc1F ZINC000169702596 JG Annotated Mild CN(C)CCOC(=O)[C@@H]1C(=O)/C(=C/c2c[nH]c3ncccc23)O/C1=N\c1ccc(F)cc1F ZINC000169702599 JG Annotated Mild CN(C)CCOC(=O)[C@H]1C(=O)/C(=C/c2c[nH]c3ncccc23)O/C1=N\c1ccc(F)cc1F ZINC000169702600 JG Annotated Mild Cc1cc(OCCO)ccc1/N=C1/O/C(=C\c2c[nH]c3ncccc23)C(=O)[C@@H]1C(=O)OC(C)C ZINC000169702608 JG Annotated Mild Cc1cc(OCCO)ccc1/N=C1/O/C(=C\c2c[nH]c3ncccc23)C(=O)[C@H]1C(=O)OC(C)C ZINC000169702609 JG Annotated Mild CC(C)c1nn(-c2ccc(C(N)=O)cc2C#N)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12 ZINC000169703525 JG Annotated Mild CC(C)c1nn(-c2ccc(C(N)=O)cc2CN(C)C)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12 ZINC000169703526 JG Annotated Anodyne COc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 ZINC000169703529 JG Annotated Anodyne CCc1c(-n2nc(C(C)C)c3c(-n4cnc(-c5cnn(C)c5)c4)ccnc32)ccc(C(N)=O)c1N ZINC000169703536 JG Annotated Anodyne CN(C)c1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 ZINC000169703562 JG Annotated Anodyne NC(=O)c1ccc(-n2nc(C(F)(F)F)c3c(-n4cnc(-c5cccnc5)c4)ccnc32)cc1N ZINC000169703579 JG Annotated Anodyne NC(=O)c1ccc(-n2nc(C(F)(F)F)c3c(-n4cnc(-c5cccnc5)c4)ccnc32)c(N)c1 ZINC000169703580 JG Annotated Anodyne CCn1cc(-c2cn(-c3ccnc4c3c(C(F)(F)F)nn4-c3ccc(C(N)=O)cc3N)cn2)cn1 ZINC000169703586 JG Annotated Anodyne CS(=O)(=O)N[C@@H]1CC[C@@H](Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000169703812 JG Annotated Anodyne COc1cc(-c2cc(C(=O)N[C@@H]3CC[C@@H](OCC(C)(C)C)CC3)c3c(N)ncnn23)ccn1 ZINC000169704054 JG Annotated Anodyne CC(C)(C)N(CC1CCN(C(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)CC1)C(=O)O ZINC000169704064 JG Annotated Anodyne CC(C)(CN1CCOCC1)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000169704124 JG Annotated Anodyne Cn1cncc1CCNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000169704135 JG Annotated Anodyne NC1CN(c2ccnc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)n2)C1 ZINC000169704662 JG Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nccc(N5CC(O)C5)n4)ccn23)c1 ZINC000169704669 JG Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnn(C5CN(CCO)C5)c4)ccn23)c1 ZINC000169704681 JG Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(C#Cc4nccn4CCO)ccn23)c1 ZINC000169704710 JG Annotated Mild Nc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1C(=O)O ZINC000169704718 JG Annotated Anodyne Nc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1OCCO ZINC000169704760 JG Annotated Anodyne CCc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC(c6ccn(C)n6)C5)c34)cnn2C)cc1 ZINC000169706080 JG Annotated Anodyne COc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC(NC(=O)OC(C)(C)C)C5)c34)cnn2C)cc1 ZINC000169706084 JG Annotated Anodyne CC(=O)N(C)[C@@H]1CCN(c2ncnc3c2c(-c2cnn(C)c2-c2ccc(C4CC4)cc2)nn3C)C1 ZINC000169706095 JG Annotated Anodyne CC(=O)N(C)[C@H]1CCN(c2ncnc3c2c(-c2cnn(C)c2-c2ccc(C4CC4)cc2)nn3C)C1 ZINC000169706096 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(c2ncnc3c2c(-c2cnn(C)c2-c2ccc(C4CC4)cc2)nn3C)C1 ZINC000169706103 JG Annotated Anodyne O=C(NC1CNC1)[C@@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000169706485 JG Annotated Anodyne O=C(NC1CNC1)[C@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000169706486 JG Annotated Anodyne C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(C2CCOCC2)n1 ZINC000169707128 JG Annotated Anodyne O=C1CC[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(C3CCOCC3)n2)CN1 ZINC000169707129 JG Annotated Anodyne O=C1CC[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(C3CCOCC3)n2)CN1 ZINC000169707130 JG Annotated Anodyne C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(CC2CCOCC2)n1 ZINC000169707139 JG Annotated Anodyne O=C1NC[C@H](C(=O)Nc2cc(-c3cccc(COCC(F)(F)F)c3)n(-c3ccccc3)n2)N1 ZINC000169707271 JG Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)c(OCCO)c2)c1 ZINC000169707332 JG Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(CNCC(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707406 JG Annotated Anodyne CC(C)(C)CS(=O)(=O)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707437 JG Annotated Anodyne O=C1NC[C@@H](C(=O)Nc2cc(-c3cccc(COCC(F)(F)F)c3)n(-c3ccccc3)n2)N1 ZINC000169707441 JG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)CN3Cc4ccc(F)cc4C3=O)c2)c2cncnc21 ZINC000169707649 JG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(S(C)(=O)=O)c3)c2)c2cncnc21 ZINC000169707656 JG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C(F)(F)F)n3)c2)c2cncnc21 ZINC000169707666 JG Annotated Anodyne Cc1ccn2cc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)nc2n1 ZINC000169707685 JG Annotated Anodyne Cc1nc(C)c2ncn(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2n1 ZINC000169707686 JG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn(Cc4ccccc4)nn3)c2)c2cncnc21 ZINC000169707703 JG Annotated Anodyne CC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(S(C)(=O)=O)c3)c2)c2cncnc21 ZINC000169707755 JG Annotated Anodyne C[C@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4cccnc4c3)c2)c2cncnc21 ZINC000169707765 JG Annotated Anodyne C[C@@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)c2cnc(N)nc21 ZINC000169707772 JG Annotated Anodyne C[C@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)c2cnc(N)nc21 ZINC000169707773 JG Annotated Anodyne O=C(Cc1ccc2cccnc2c1)Nc1cncc(C(=O)c2cn(C3COC3)c3ncncc23)c1 ZINC000169707779 JG Annotated Anodyne O=C(Cc1cn2cc(Cl)ccc2n1)Nc1cncc(C(=O)c2cn(C3COC3)c3ncncc23)c1 ZINC000169707780 JG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C(F)(F)F)n3)c2)c2cnc(N)nc21 ZINC000169707812 JG Annotated Anodyne CC(CO)(CO)n1cc(C(=O)c2cncc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c2cncnc21 ZINC000169707821 JG Annotated Anodyne CC1(n2cc(C(=O)c3cncc(NC(=O)Cc4ccc(Cl)cn4)c3)c3cncnc32)COC1 ZINC000169707861 JG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3nnc(O)c4ccccc34)c2)c2cncnc21 ZINC000169707902 JG Annotated Anodyne Cc1cccc(-c2nnnn2CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)c1 ZINC000169707905 JG Annotated Anodyne CCc1nn2cc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)nc2s1 ZINC000169707908 JG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(-c4cccc(O)c4)nn3)c2)c2cncnc21 ZINC000169707918 JG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ncncc3Br)c2)c2cncnc21 ZINC000169707993 JG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)CN3CCc4cccnc4C3)c2)c2cncnc21 ZINC000169708027 JG Annotated Anodyne CC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2cnc(N)nc21 ZINC000169708031 JG Annotated Mild C[C@@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(OC(F)F)cc3)c2)c2cncnc21 ZINC000169708040 JG Annotated Anodyne C[C@@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)c(F)c3)c2)c2cncnc21 ZINC000169708043 JG Annotated Anodyne COCC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cn3)c2)c2cncnc21 ZINC000169708045 JG Annotated Anodyne COCC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cncnc21 ZINC000169708046 JG Annotated Anodyne COCC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnc(N)nc21 ZINC000169708053 JG Annotated Anodyne CC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(C4CC4)cn3)c2)c2cnc(N)nc21 ZINC000169708079 JG Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CN)c12 ZINC000169708347 JG Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3O[C@H](C)CN)c12 ZINC000169708348 JG Annotated Anodyne CN1C(=O)Cc2ccc(-c3ccc4oc(C[C@@H](C#N)NC(=O)[C@H]5N[C@@H]6CC[C@H]5C6)cc4c3)cc21 ZINC000169708958 JG Annotated Mild CN1C(=O)Cc2ccc(-c3ccc4oc(C[C@H](C#N)NC(=O)[C@H]5N[C@@H]6CC[C@H]5C6)cc4c3)cc21 ZINC000169708959 JG Annotated Mild Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(Cl)nn4C(C)C)n2)cc1CN1CC(O)C1 ZINC000169709015 JG Annotated Anodyne Cc1nn(-c2nc(Nc3ccc4c(c3)c(Cl)c(C)n4C)ncc2F)cc1CN1CC(O)C1 ZINC000169709017 JG Annotated Anodyne Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(C(=O)C3CC3)cn4C)n2)cc1CN1CC[C@@H](O)C1 ZINC000169709021 JG Annotated Anodyne Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(Cl)c(C)n4C)n2)cc1CN1C[C@H](O)C[C@H]1C(=O)O ZINC000169709023 JG Annotated Anodyne CO[C@@H]1CN(Cc2cn(-c3ccnc(Nc4ccc5c(c4)c(Cl)c(C)n5C)n3)nc2C)C[C@@H]1O ZINC000169709026 JG Annotated Anodyne C[C@H](NC(=O)c1cnn(C)c1N)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709556 JG Annotated Anodyne C[C@H](NC(=O)c1cnn(C)c1N)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709557 JG Annotated Anodyne C[C@H](NC(=O)c1cnc(N)o1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709599 JG Annotated Anodyne C[C@H](NC(=O)c1cnc(N)o1)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709600 JG Annotated Anodyne C[C@H](NC(=O)c1cnn(C)c1N)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709620 JG Annotated Anodyne C[C@H](NC(=O)c1cnn(C)c1N)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709621 JG Annotated Anodyne C[C@H](NC(=O)N1CCOCC1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709674 JG Annotated Anodyne C[C@H](NC(=O)N1CCOCC1)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709675 JG Annotated Anodyne Cc1nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1C ZINC000169710278 JG Annotated Mild CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)Oc3ccccc3)c(F)c2)CC1 ZINC000169710361 JG Annotated Clean CO[C@H]1CNC[C@@H]1NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1 ZINC000169710676 JG Annotated Anodyne CO[C@H]1CNC[C@@H]1NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1 ZINC000169710677 JG Annotated Anodyne NC(=O)c1cnn2cc(-c3ccc4scnc4c3)cc2c1NC12CC3C[C@](O)(C1)C[C@@](O)(C3)C2 ZINC000169710838 JG Annotated Anodyne NC(=O)c1cnn2cc(-c3ccc4scnc4c3)cc2c1NC12CC3C[C@@](O)(C1)C[C@@](O)(C3)C2 ZINC000169710839 JG Annotated Anodyne NC(=O)c1cnn2cc(-c3ccc4scnc4c3)cc2c1NC12CC3C[C@](O)(C1)C[C@](O)(C3)C2 ZINC000169710840 JG Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cn1)N1CCC(F)(c2ncc([C@H](O)[C@H](O)CO)cc2Cl)CC1 ZINC000169710876 JG Annotated Anodyne N#Cc1nc(C(=O)NCCCC(=O)O)c(O)c2cc(-c3ccccc3)c(=O)n(Cc3ccccc3)c12 ZINC000169710911 JG Annotated Mild CC(C)(CNC(=O)c1nc(-c2cncc(F)c2)c2c(=O)n(Cc3ccccc3)ccc2c1O)C(=O)O ZINC000169710973 JG Annotated Clean O=C(O)CCNC(=O)c1ncc2c(cc(CCc3ccccc3)c(=O)n2Cc2ccccc2)c1O ZINC000169711007 JG Annotated Anodyne O=C(O)CCCNC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O ZINC000169711010 JG Annotated Anodyne O=C(O)CCNC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2CCc2ccccc2)c1O ZINC000169711019 JG Annotated Anodyne COc1ccc(F)cc1-c1cc2c(O)c(C(=O)NCCC(=O)O)ncc2n(Cc2ccccc2)c1=O ZINC000169711033 JG Annotated Anodyne O=C(NC1(C(=O)O)CC1)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O ZINC000169711073 JG Annotated Anodyne Cc1cc(CN2CCC[C@H]2CO)ccc1C(=O)Cn1ncc(OCc2ccc(Cl)cn2)cc1=O ZINC000169711363 JG Annotated Anodyne Cc1cc(CN2CC[C@H](O)C2)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O ZINC000169711396 JG Annotated Anodyne Cc1cc(CN2CC[C@@H](O)C2)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O ZINC000169711397 JG Annotated Anodyne Cc1cc(CN2CCN(C)CC2)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O ZINC000169711398 JG Annotated Anodyne Cc1cc(CN2CCC2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)nc1=O ZINC000169711431 JG Annotated Anodyne Cc1cc(CN2CCCC[C@@H]2CO)ccc1C(=O)Cn1ncc(OCc2ccccc2)cc1=O ZINC000169711444 JG Annotated Anodyne CCN1CCN(Cc2ccc(C(=O)Cn3ncc(OCc4ccc(Cl)cn4)cc3=O)c(C)c2)CC1 ZINC000169711453 JG Annotated Anodyne Cc1cc(CN2CCC[C@H](O)C2)ccc1C(=O)Cn1ncc(OCc2ccc(Cl)cn2)cc1=O ZINC000169711461 JG Annotated Anodyne Cc1cc(CN2CCC[C@@H](O)C2)ccc1C(=O)Cn1ncc(OCc2ccc(Cl)cn2)cc1=O ZINC000169711462 JG Annotated Anodyne Cc1cc(CN2CCCC[C@@H]2CO)ccc1C(=O)Cn1ncc(OCc2ccc(Cl)cn2)cc1=O ZINC000169711463 JG Annotated Anodyne Cc1cc(CN(C)C)ccc1C(=O)Cn1ncc(OCc2ccc(Br)cn2)cc1=O ZINC000169711468 JG Annotated Anodyne CCNCc1ccc(C(=O)Cn2ncc(OCc3ccc(Br)cn3)cc2=O)c(C)c1 ZINC000169711474 JG Annotated Anodyne [C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C#N)cc(N4CCC(NC[C@@H](C)O)CC4)c3Cl)nn12 ZINC000169711952 JG Annotated Mild CCNc1nc(Nc2cc(C#N)cc(N3CCN(CC(F)F)CC3)c2Cl)nn2c(C#N)cnc12 ZINC000169711970 JG Annotated Mild CN(C)Cc1ccc(CSCC/N=C(/CNCCSCc2ccc(CN(C)C)o2)[N+](=O)[O-])o1 ZINC000169712311 JG Annotated Mild CN1CCN(CCCCn2c(O)cn(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)c2=O)CC1 ZINC000169717482 JG Annotated Mild O=C(COC(=O)c1ccc(-n2c(O)c3c(c2O)CC=CC3)cc1)c1ccc(N2CCOCC2)cc1 ZINC000169718857 JG Annotated Anodyne COc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)CC=CC4)cc2)cc1[N+](=O)[O-] ZINC000169718863 JG Annotated Bother CCCC(=O)c1c(O)c(C[C@@H]2C(=O)[C@@H](C(=O)CCC)C(=O)C(C)(C)C2=O)c(O)c(C)c1OC ZINC000169719656 JG Annotated Anodyne CCCC(=O)c1c(O)c(C[C@H]2C(=O)[C@H](C(=O)CCC)C(=O)C(C)(C)C2=O)c(O)c(C)c1OC ZINC000169719657 JG Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(=O)c-2c1O ZINC000169721932 JG Annotated Clean Cc1[nH]n(C(=O)c2ccccc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000169722571 JG Annotated Clean O=C1C(Br)=CC2(C=C1Br)CCN=C1C(=O)c3[nH]cc4c3C(=NCC4)[C@H]12 ZINC000169723181 JG Annotated Mild O=C1C(Br)=CC2(C=C1Br)CCN=C1C(=O)c3[nH]cc4c3C(=NCC4)[C@@H]12 ZINC000169723182 JG Annotated Mild C/C(=N\NC(=S)N1CCc2cc(C(=O)O)ccc21)c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O ZINC000169724124 JG Annotated Mild C/C(=N\NC(=S)N1CCc2cc(C(=O)O)ccc21)c1c(C)[nH]n(-c2ccc3c(c2)CCC3)c1=O ZINC000169724125 JG Annotated Mild CNC(=O)c1ccc2c(c1)CCN2C(=S)N/N=C(\C)c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O ZINC000169724128 JG Annotated Mild C/C(=N\N=C(/O)N1CCc2cc(C(=O)O)ccc21)c1c(C)[nH]n(-c2ccc3c(c2)CCC3)c1=O ZINC000169724132 JG Annotated Mild C[C@@]12CCC(=O)/C(=C\NCCc3ccccc3)[C@@H]1C(=O)C(=O)c1cc3c(cc12)C(=O)C=CC3=O ZINC000169724435 JG Annotated Mild C[C@@]12CCC(=O)/C(=C\NCCc3ccccc3)[C@H]1C(=O)C(=O)c1cc3c(cc12)C(=O)C=CC3=O ZINC000169724436 JG Annotated Mild CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)O[C@H](C)C(F)(F)F)CC[C@@H](N[C@@H]2CCOC[C@@H]2F)C1 ZINC000169724576 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)O[C@H](C)C(F)(F)F)CC[C@@H](N[C@H]2CCOC[C@@H]2F)C1 ZINC000169724577 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C[C@H](C)C(F)(F)F)CC[C@@H](N[C@@H]2CCOC[C@@H]2F)C1 ZINC000169724578 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C[C@H](C)C(F)(F)F)CC[C@@H](N[C@H]2CCOC[C@@H]2F)C1 ZINC000169724579 JG Annotated Anodyne CN1CCC2(CC1)C(=O)Nc1ccc(-c3ccc4n[nH]c(Cc5ccc6ncccc6c5)[n+]4n3)cc12 ZINC000169726232 JG Annotated Anodyne CN1CCC2(CC1)C(=O)Nc1cc(-c3ccc4n[nH]c(Cc5ccc6ncccc6c5)[n+]4n3)ccc12 ZINC000169726233 JG Annotated Anodyne Cc1cc(O)n(-c2ccccc2C(=O)O[C@@H]2CN(C(C)C)[C@@H]3C[C@@H]2[C@@H]2OC(C)(C)O[C@H]23)c1O ZINC000169729227 JG Annotated Anodyne Cc1cc(O)n(-c2ccccc2C(=O)O[C@H]2CN(C(C)C)[C@@H]3C[C@@H]2[C@@H]2OC(C)(C)O[C@H]23)c1O ZINC000169729228 JG Annotated Anodyne COc1cc(/C=C2\NC(=O)[C@H]3Cc4c(OC)c(C)c(OC)c(OC)c4[C@@H]2N3C)c(OC)c(C)c1OC ZINC000017188382 JG Annotated Anodyne COC(=O)[C@@]1(c2ccc(OC)cc2)N[C@H](c2ccccc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 ZINC000017188480 JG Annotated Anodyne COC(=O)[C@]1(c2ccc(OC)cc2)N[C@H](c2ccccc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 ZINC000017188483 JG Annotated Anodyne CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)CCc1cc(O)c(O)c(O)c1-2 ZINC000017211745 JG Annotated Clean CCOC(=O)C(Cl)(Cl)[S@](=NS(=O)(=O)c1ccccc1)NC(=O)c1ccccc1 ZINC000017222082 JG Annotated Anodyne COc1cc([C@H]2SC(N)=Nc3c2c(C)nn3C(=O)c2ccccc2O)cc(OC)c1OC ZINC000017222193 JG Annotated Anodyne Cc1nc(=O)[nH]c(N(CCO)/N=C/c2ccc(Cl)cc2)c1C(=O)Nc1ccc(Cl)cc1 ZINC000017251848 JG Annotated Mild Cc1ccc(S(=O)(=O)NN[C@H]2Oc3cc4c(cc3[C@H](c3ccccc3O)[C@@H]2C)OCO4)cc1 ZINC000017252796 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NN[C@H]2Oc3cc4c(cc3[C@H](c3ccccc3O)[C@H]2C)OCO4)cc1 ZINC000017252800 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NN[C@@H]2Oc3cc4c(cc3[C@H](c3ccccc3O)[C@@H]2C)OCO4)cc1 ZINC000017252803 JG Annotated Anodyne COc1cccc([C@H]2c3cc4c(cc3O[C@H](NNS(=O)(=O)c3ccc(C)cc3)[C@@H]2C)OCO4)c1O ZINC000017252829 JG Annotated Anodyne COc1cccc([C@H]2c3cc4c(cc3O[C@H](NNS(=O)(=O)c3ccc(C)cc3)[C@H]2C)OCO4)c1O ZINC000017252834 JG Annotated Anodyne Cc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)cc1 ZINC000017297181 JG Annotated Reactive Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)cc1 ZINC000017297184 JG Annotated Reactive Cc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 ZINC000017297187 JG Annotated Reactive Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 ZINC000017297190 JG Annotated Reactive COC(=O)[C@@]1(C)C=CC(=O)[C@@]2(C)[C@@H](CC(=O)O)[C@]3(C)C4=C(C)[C@H](c5ccoc5)C[C@H]4O[C@H]3[C@@H](O)[C@@H]12 ZINC000017377032 JG Annotated Mild COC(=O)[C@]1(C)C=CC(=O)[C@@]2(C)[C@@H](CC(=O)O)[C@]3(C)C4=C(C)[C@H](c5ccoc5)C[C@H]4O[C@H]3[C@@H](O)[C@H]21 ZINC000017377034 JG Annotated Mild COC(=O)[C@]1(C)C=CC(=O)[C@]2(C)[C@@H](CC(=O)O)[C@]3(C)C4=C(C)[C@H](c5ccoc5)C[C@H]4O[C@H]3[C@@H](O)[C@@H]12 ZINC000017377036 JG Annotated Mild C=C1[C@@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23OC(=O)/C=C\[C@H](O)CCC[C@@H](C)C/C=C\[C@H]3[C@H]1O ZINC000017422006 JG Annotated Mild C=C1[C@@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23OC(=O)/C=C\[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@H]1O ZINC000017422010 JG Annotated Mild C=C1[C@@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@H]1O ZINC000017422014 JG Annotated Mild Cc1cc(C(=O)NP(=O)(N2C[C@H](C)O[C@H](C)C2)N2C[C@@H](C)O[C@H](C)C2)c(C)n1C1CC1 ZINC000017595910 JG Annotated Reactive Cc1cc(C(=O)NP(=O)(N2C[C@H](C)O[C@H](C)C2)N2C[C@H](C)O[C@H](C)C2)c(C)n1C1CC1 ZINC000017595912 JG Annotated Reactive Cc1cc(C(=O)NP(=O)(N2C[C@H](C)O[C@@H](C)C2)N2C[C@@H](C)O[C@H](C)C2)c(C)n1C1CC1 ZINC000017595914 JG Annotated Reactive Cc1cc(C(=O)NP(=O)(N2C[C@H](C)O[C@@H](C)C2)N2C[C@H](C)O[C@H](C)C2)c(C)n1C1CC1 ZINC000017595915 JG Annotated Reactive COc1cc(NS(=O)(=O)c2ccc(/N=C/c3c(C)nn(-c4ccccc4)c3O)cc2)nc(OC)n1 ZINC000017917365 JG Annotated Mild CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc21 ZINC000017991126 JG Annotated Anodyne CCOC(=O)C(Cl)(Cl)[S@@](=NS(=O)(=O)c1ccccc1)NC(=O)c1ccccc1 ZINC000018115188 JG Annotated Anodyne CC1(C)CC(=O)[C@H]2C(=Nc3[nH]c(SCCN4CCOCC4)nc(=O)c3[C@H]2c2cccs2)C1 ZINC000018175909 JG Annotated Anodyne CC1(C)CC(=O)[C@@H]2C(=Nc3[nH]c(SCCN4CCOCC4)nc(=O)c3[C@H]2c2cccs2)C1 ZINC000018175911 JG Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c3oc(=O)sc3c2)cc1 ZINC000018191556 JG Annotated Anodyne CC1(C)CC(=O)[C@H]2C(=Nc3[nH]c(SCCN4CCOCC4)nc(=O)c3[C@@H]2c2cccs2)C1 ZINC000018354921 JG Annotated Anodyne CC1(C)CC(=O)[C@@H]2C(=Nc3[nH]c(SCCN4CCOCC4)nc(=O)c3[C@@H]2c2cccs2)C1 ZINC000018354924 JG Annotated Anodyne COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)[C@@H](C)N2CCOCC2)O3)c1 ZINC000019217555 JG Annotated Anodyne COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)[C@@H](C)N2CCOCC2)O3)c1 ZINC000019217563 JG Annotated Anodyne COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)[C@H](C)N2CCOCC2)O3)c1 ZINC000019217573 JG Annotated Anodyne COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)[C@H](C)N2CCOCC2)O3)c1 ZINC000019217581 JG Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CCN(Cc1cc(C)cc(C)c1)CC2 ZINC000019228623 JG Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000019236997 JG Annotated Anodyne CN(CCN)[C@H](CSSC[C@@H](c1ccccc1O)N(C)CCN)c1ccccc1O ZINC000019367046 JG Annotated Reactive CC[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000019500659 JG Annotated Anodyne aggregator CC[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000019500660 JG Annotated Anodyne aggregator CCOC(=O)[C@@]1(CC)N[C@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000019500702 JG Annotated Anodyne CCC[C@@]1(C(=O)OC)N[C@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000019501978 JG Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000019502018 JG Annotated Anodyne CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000019502019 JG Annotated Anodyne CCC[C@@]1(C(=O)OC)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000019502026 JG Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019502030 JG Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccc(O)cc2)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000019529780 JG Annotated Anodyne COc1ccc(N2CCN([C@@H](c3ccccc3OC)c3nnnn3Cc3ccco3)CC2)cc1 ZINC000019556534 JG Annotated Clean COc1ccc(N2CCN([C@H](c3ccccc3OC)c3nnnn3Cc3ccco3)CC2)cc1 ZINC000019556537 JG Annotated Clean Cc1cc([C@H](c2nnnn2Cc2ccccc2)N2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000019567553 JG Annotated Clean Cc1cc([C@@H](c2nnnn2Cc2ccccc2)N2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000019567555 JG Annotated Clean CCOC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)c2cccc(-n4cccn4)c2)CCO3)CC1 ZINC000019745079 JG Annotated Anodyne COCCN1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2-c2ccco2)CC1 ZINC000019770252 JG Annotated Anodyne Cc1cccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c12 ZINC000019826446 JG Annotated Anodyne Cc1cccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c12 ZINC000019826450 JG Annotated Anodyne COc1ccc2ccccc2c1CN1CCOc2ccc(CN3CCN(CCO)CC3)cc2C1 ZINC000019837588 JG Annotated Anodyne Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccnc4ccccc24)CC3)c(C)c1 ZINC000019839114 JG Annotated Anodyne O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1N=Cc2cc(Br)ccc2B1O ZINC000195051032 JG Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](CN4CCOCC4)C2)[C@]13C(=O)O ZINC000195062917 JG Annotated Mild CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(OCC(=O)O)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000195142325 JG Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(OCC(=O)O)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000195142335 JG Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(OCC(=O)O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000195142347 JG Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(OCC(=O)O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000195142361 JG Annotated Anodyne Cn1ncc2c1[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)[C@H]1[C@H]3C[C@H]4C[C@]1(C2)C[C@]4(C)O3 ZINC000195146097 JG Annotated Anodyne Cn1ncc2c1[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)[C@H]1[C@H]3C[C@H]4C[C@@]1(C2)C[C@]4(C)O3 ZINC000195146108 JG Annotated Anodyne Cn1ncc2c1[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)[C@H]1[C@H]3C[C@@H]4C[C@]1(C2)C[C@]4(C)O3 ZINC000195146123 JG Annotated Anodyne Cn1ncc2c1[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)[C@H]1[C@H]3C[C@@H]4C[C@@]1(C2)C[C@]4(C)O3 ZINC000195146137 JG Annotated Anodyne CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C/C=C\C(=O)OCC/C(C)=C\C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1 ZINC000195156651 JG Annotated Anodyne CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C/C=C/C(=O)OCC/C(C)=C\C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1 ZINC000195156665 JG Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@H]4O[C@@H](C[C@@](C)(O)[C@H](OC)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000195200219 JG Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@H]4O[C@@H](C[C@@](C)(O)[C@H](OC)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000195200230 JG Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@H]4O[C@H](C[C@@](C)(O)[C@H](OC)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000195200242 JG Annotated Anodyne C/C1=C\[C@@H](C)[C@H](O)C/C=C\CC/C=C\C(=O)O[C@@H]1[C@H](C)C(=O)/C=C/CC1CC(=O)NC(=O)C1 ZINC000195211978 JG Annotated Mild C/C1=C\[C@@H](C)[C@H](O)C/C=C\CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)/C=C/CC1CC(=O)NC(=O)C1 ZINC000195211995 JG Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)[C@@H]2C[C@@H]2[C@@]23C[C@@H]4C[C@@H](O[C@]4(C)C2)[C@H]13 ZINC000195219095 JG Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)[C@@H]2C[C@@H]2[C@]23C[C@@H]4C[C@@H](O[C@]4(C)C2)[C@H]13 ZINC000195219109 JG Annotated Anodyne CN(C)c1ccc(B(OC(=O)c2ncccc2O)c2ccc(N(C)C)c(Cl)c2)cc1Cl ZINC000195222908 JG Annotated Anodyne CCOC(=O)C1=C([Si](C)(C)C)c2ccccc2N(S(=O)(=O)C(F)(F)F)[C@H]1C(=O)OCC ZINC000195260511 JG Annotated Anodyne CCOC(=O)C1=C([Si](C)(C)C)c2ccccc2N(S(=O)(=O)C(F)(F)F)[C@@H]1C(=O)OCC ZINC000195260523 JG Annotated Anodyne C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C\CC/C=C\C=C\[C@@H]1C ZINC000195269668 JG Annotated Anodyne C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C\CC/C=C/C=C/[C@@H]1C ZINC000195269681 JG Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000195270820 JG Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CCN1CCN(C(c3ccccc3)c3ccccc3)CC1)[C@H]1C=C[C@H]2[C@H]2C[C@H]21 ZINC000195270831 JG Annotated Anodyne CC[C@@H]1O[C@@]2(C)[C@@H](O)[C@@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)O[C@@]1(C)[C@@H]2OC(C)=O ZINC000195289947 JG Annotated Anodyne CC[C@H]1O[C@@]2(C)[C@@H](O)[C@@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)O[C@@]1(C)[C@@H]2OC(C)=O ZINC000195289963 JG Annotated Anodyne C[Si](C)(C)C#Cc1cn(C[C@H]2CN(c3cc(F)c(N4CCCOCC4)c(F)c3)C(=O)O2)nn1 ZINC000195336375 JG Annotated Mild CC1=C[C@H]2[C@@H]3C[C@@H](C)[C@]4(OCO[C@@]45COCO5)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CC(C=O)=C(O)C=C12 ZINC000195338967 JG Annotated Reactive CC1=C[C@H]2[C@@H]3C[C@H](C)[C@]4(OCO[C@@]45COCO5)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CC(C=O)=C(O)C=C12 ZINC000195338977 JG Annotated Reactive CCN1C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C ZINC000195344432 JG Annotated Anodyne CCN1C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H](c2ccccc2)[C@@H](C(=O)OC)[C@H]1C ZINC000195344441 JG Annotated Anodyne C=CC[C@@H]1C=C[C@@H](O/N=C2\c3cc(OC)ccc3O[C@@H](c3cccc(OC)c3)[C@H]2O)[C@@H](CO)O1 ZINC000195359760 JG Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C2/c3cc(OC)ccc3O[C@@H](c3cccc(OC)c3)[C@H]2O)[C@@H](CO)O1 ZINC000195359768 JG Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C2\c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@H]2O)[C@@H](CO)O1 ZINC000195359776 JG Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C2/c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@H]2O)[C@@H](CO)O1 ZINC000195359784 JG Annotated Mild CC(=O)OC[C@@H]1O[C@@H](C/C=N\O[C@H](C)CN2CCCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000195370464 JG Annotated Mild CC(=O)OC[C@@H]1O[C@@H](C/C=N/O[C@H](C)CN2CCCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000195370471 JG Annotated Mild COC(=O)c1c(C(=O)OC)c2c3cc(OC)c(OC)cc3cc([Si](C)(C)C)n2c1C(=O)OC ZINC000195373752 JG Annotated Anodyne C[C@]12O[C@@H]3C[C@@H](O1)[C@]1(C=O)[C@H]4CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@@]5(O)[C@@H]4CC[C@@]1(C3)O2 ZINC000195380071 JG Annotated Mild C[C@]12O[C@H]3C[C@@H](O1)[C@]1(C=O)[C@H]4CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@@]5(O)[C@@H]4CC[C@@]1(C3)O2 ZINC000195380079 JG Annotated Mild C[C@@H]1[C@@H]2O[C@]3(C)C[C@]4(C=CC(=O)[C@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]24)C[C@@H]13 ZINC000195380484 JG Annotated Mild C[C@@H]1[C@@H]2O[C@]3(C)C[C@]4(C=CC(=O)[C@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]24)C[C@H]13 ZINC000195380488 JG Annotated Mild C[C@@H]1[C@@H]2O[C@]3(C)C[C@@]4(C=CC(=O)[C@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]24)C[C@@H]13 ZINC000195380495 JG Annotated Mild C[C@@H]1[C@@H]2O[C@]3(C)C[C@@]4(C=CC(=O)[C@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]24)C[C@H]13 ZINC000195380500 JG Annotated Mild CCC/C=C\c1ccc(CN2[C@@H](C)C(=O)N(Cc3cn(Cc4ccco4)nn3)CCS2(=O)=O)cc1 ZINC000195392593 JG Annotated Anodyne C[C@@]12C[C@]34C=CC(=O)[C@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@H]3[C@H](O1)[C@@H](Cl)[C@H]2C4 ZINC000195415122 JG Annotated Reactive C[C@]12C[C@@]34C=CC(=O)[C@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@H]3[C@H](O1)[C@@H](Cl)[C@H]2C4 ZINC000195415130 JG Annotated Reactive C[C@@]12C[C@@]34C=CC(=O)[C@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@H]3[C@H](O1)[C@@H](Cl)[C@H]2C4 ZINC000195415136 JG Annotated Reactive O=C(O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H]2[C@@H](c3ccc(Cl)cc3)c3sc(O)nc3S[C@@H]21 ZINC000195426057 JG Annotated Anodyne O=C(O)CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]4Sc5nc(O)sc5[C@H](c5ccc(Cl)cc5)[C@H]34)[C@@H]2C1=O ZINC000195426062 JG Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@@]2(O)C=CC(=O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@]132 ZINC000195428538 JG Annotated Mild CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@]2(O)C=CC(=O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@]132 ZINC000195428544 JG Annotated Mild O=C(O)CCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H]2[C@@H](c3ccccc3)c3sc(O)nc3S[C@@H]21 ZINC000195437488 JG Annotated Anodyne O=C(O)CCCN1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]4Sc5nc(O)sc5[C@H](c5ccccc5)[C@H]34)[C@@H]2C1=O ZINC000195437493 JG Annotated Anodyne CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)Cc1cccc2c1CCCC2)c1cccc(F)c1)B(O)O ZINC000195463928 JG Annotated Reactive CC(C)C[C@H](NC(=O)C[C@H](NC(=O)Cc1cccc2c1CCCC2)c1cccc(F)c1)B(O)O ZINC000195463933 JG Annotated Reactive CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1cccc(F)c1)B(O)O ZINC000195464962 JG Annotated Reactive CC(C)C[C@H](NC(=O)C[C@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1cccc(F)c1)B(O)O ZINC000195464966 JG Annotated Reactive CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@]3(CO)[C@@H](Oc4nc(=O)ccn43)[C@@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000195477676 JG Annotated Reactive CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@]3(CO)[C@@H](Oc4nc(=O)ccn43)[C@@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000195477680 JG Annotated Reactive CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@]3(CO)[C@@H](Oc4nc(=O)ccn43)[C@@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000195477681 JG Annotated Reactive CC(C)[Si]1(C(C)C)OC[C@H]2O[C@]3(CO)[C@@H](Oc4nc(=O)ccn43)[C@@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000195477685 JG Annotated Reactive O=C(O)C1=C(O)[C@H](C(=O)O)[C@]23CCCCCCCCCC[C@]12[C@H](C(=O)O)C(O)=C3C(=O)O ZINC000195480381 JG Annotated Anodyne O=C(O)C1=C(O)[C@H](C(=O)O)[C@]23CCCCCCCCCC[C@]12[C@@H](C(=O)O)C(O)=C3C(=O)O ZINC000195480386 JG Annotated Anodyne O=C(O)C1=C(O)[C@H](C(=O)O)[C@]23CCCCCCCCCC[C@@]12[C@@H](C(=O)O)C(O)=C3C(=O)O ZINC000195480392 JG Annotated Anodyne O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C(=O)c1ccccc1F)[C@@H]1OC(=O)[C@@H]2C=CC=C[C@H]21 ZINC000195488604 JG Annotated Bother O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C(=O)c1ccccc1F)[C@@H]1OC(=O)[C@@H]2C=CC=C[C@H]21 ZINC000195488609 JG Annotated Bother O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C(=O)c1ccccc1F)[C@H]1OC(=O)[C@@H]2C=CC=C[C@@H]12 ZINC000195488612 JG Annotated Bother O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C(=O)c1ccccc1F)[C@H]1OC(=O)[C@@H]2C=CC=C[C@@H]12 ZINC000195488617 JG Annotated Bother CC(=O)OC[C@@H]1O[C@@H](C/C=N\O[C@H](C)CN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000195490251 JG Annotated Mild CC(=O)OC[C@@H]1O[C@@H](C/C=N/O[C@H](C)CN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000195490255 JG Annotated Mild CCCCCCCSC[C@H]1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000195493412 JG Annotated Mild CCCCCCCSC[C@@H]1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000195493414 JG Annotated Mild CCCCCCCSC[C@H]1C(=O)[C@@]23[C@H](O)[C@@H]1CC[C@@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000195493417 JG Annotated Mild CCCCCCCSC[C@@H]1C(=O)[C@@]23[C@H](O)[C@@H]1CC[C@@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000195493420 JG Annotated Mild CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@]3(CO)[C@H](Oc4nc(=O)ccn43)[C@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000195773635 JG Annotated Reactive CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@]3(CO)[C@H](Oc4nc(=O)ccn43)[C@@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000195773637 JG Annotated Reactive O=C1C[C@@H]2NCCCNCCCCN(CCCN1)C(=O)/C=C\c1ccc(O)c(c1)Oc1ccc2cc1 ZINC000195791465 JG Annotated Anodyne C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C=C\[S@@](C)=O)[C@@H]1[C@H]2OC(=O)CC(C)C ZINC000195956961 JG Annotated Mild CC(=O)c1c(C)c(C(=O)[C@H]2COc3cc(O)c(O)cc3C2=O)cc2c(=O)c3cc(O)c(O)cc3oc12 ZINC000196068665 JG Annotated Clean C=C[C@@]1(C)C[C@H](OC(C)=O)[C@@H]2[C@]3(C)[C@@H]([C@H](OC(C)=O)C[C@@]2(C)O1)C(C)(C)[C@H](O)C[C@H]3OC(C)=O ZINC000197455176 JG Annotated Mild O=[N+]([O-])c1cccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccsc3)nc12 ZINC000197912285 JG Annotated Bother O=[N+]([O-])c1ccc2nc(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccsc3)[nH]c2c1 ZINC000197912355 JG Annotated Bother COC(=O)C(C(=O)OC)[C@@H]1O[C@]23CN(S(=O)(=O)c4ccc(C)cc4)C=C[C@@]2(C)[C@H]3c2ccccc21 ZINC000198015544 JG Annotated Anodyne CCCC[C@@H](O)/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C/C=C\[C@H](CCC(=O)OC)OC(C)=O ZINC000198042906 JG Annotated Mild CCCOC(=O)[C@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(OCC(=O)O)ccc12 ZINC000198102638 JG Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(OCC(=O)O)ccc12 ZINC000198102649 JG Annotated Anodyne COC(=O)CCCC#C[C@H]1O[C@@H](CC/C=C(Br)/C=C\Br)[C@H](OC)[C@@H]1O ZINC000198354084 JG Annotated Mild Cn1c(OC2CCN(c3ccc(CN4CCCCC4)cc3)CC2)nc(-c2ccncn2)cc1=O ZINC000198761852 JG Annotated Clean COC(=O)OCCC1=C(C(=O)OC)C2=C(O)[C@@H]3C[C@H]4N(C[C@H]3C)C[C@H]3CCC(=O)C1=C2[C@]34C ZINC000198849394 JG Annotated Mild CC1=CCC[C@H]2[C@@]1(C)[C@@H](O)[C@H](O)[C@](C)(OC(=O)c1cccnc1)[C@]2(C)/C=C/C1=CC(=O)OC1 ZINC000198920124 JG Annotated Anodyne CN1CCN(NC(=O)CN2C(=O)/C(=C/c3c(Cl)ccc(Cl)c3Cl)SC2=S)CC1 ZINC000198923538 JG Annotated Clean in-vitro CCCCN1C(=O)[C@@H](CC(=O)NCCc2ccccn2)CC(C(=O)N2CCCCCC2)=C1C ZINC000199200600 JG Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCCc2ccccn2)CC(C(=O)N2CCCCCC2)=C1C ZINC000199200619 JG Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NCc2cccs2)CC(C(=O)N2CCCCCC2)=C1C ZINC000199200897 JG Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCc2cccs2)CC(C(=O)N2CCCCCC2)=C1C ZINC000199200911 JG Annotated Anodyne CC(C)C[C@H]1CNC(=O)C(=O)N1C[C@H](Cc1ccc(O)cc1)NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000199204191 JG Annotated Anodyne CS(=O)(=O)N1Cc2cc(C(=O)NCC3CC3)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO ZINC000199204264 JG Annotated Anodyne CN(C)C(=O)c1cc2c(c(-c3cccc(-c4ccccc4F)c3)n1)[C@@H](CCO)N(S(C)(=O)=O)C2 ZINC000199204422 JG Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCCCN1CCCC1=O)C2 ZINC000199206205 JG Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCCCN1CCCC1=O)C2 ZINC000199206399 JG Annotated Anodyne COc1ccc(CCN2C(=O)c3ccccc3[C@H]2c2nnnn2-c2ccc3c(c2)OCCO3)cc1OC ZINC000199224335 JG Annotated Anodyne COc1ccc(CCN2C(=O)c3ccccc3[C@@H]2c2nnnn2-c2ccc3c(c2)OCCO3)cc1OC ZINC000199224353 JG Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000199225266 JG Annotated Anodyne Cc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)NCCO)nn1Cc1ccccc1 ZINC000199229727 JG Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCCCN1CCCC1=O)C2 ZINC000199244241 JG Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCSCC3)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2 ZINC000199245295 JG Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCCCN3CCCC3=O)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2 ZINC000199246445 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@H](c1ccnc2ccccc12)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000199247470 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@@H](c1ccnc2ccccc12)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000199247485 JG Annotated Anodyne Cc1c(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000199271366 JG Annotated Anodyne Cc1cc(N2CCN(S(C)(=O)=O)C[C@@H]2C)ccc1N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000199272019 JG Annotated Anodyne Cc1cc(N2CCN(S(C)(=O)=O)C[C@H]2C)ccc1N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000199272222 JG Annotated Anodyne CC(=O)NCC1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2CCOc1ccccc1 ZINC000199355297 JG Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccccc1 ZINC000199363084 JG Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccccc1 ZINC000199363106 JG Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccccc1 ZINC000199365195 JG Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccccc1 ZINC000199365209 JG Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1cccc(F)c1 ZINC000199424490 JG Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1c1cccc(F)c1 ZINC000199425409 JG Annotated Anodyne CON(C)C(=O)C(C)(C)CC#CCN(CC#Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000199721778 JG Annotated Anodyne C#CCN(Cc1ccco1)C(=O)c1nnc2c3ccccc3n(S(=O)(=O)c3ccc(C)cc3)c2n1 ZINC000199731017 JG Annotated Mild C#CCN(Cc1ccco1)C(=O)c1nnc2c3ccccc3n(S(=O)(=O)c3ccccc3)c2n1 ZINC000199731042 JG Annotated Mild COC(=O)c1cc2c(c3c4cc(OC)ccc4n(S(=O)(=O)c4ccccc4)c13)C(=O)N(C)C2 ZINC000199732781 JG Annotated Anodyne COC(=O)c1cc2c(c3c4cc(OC)ccc4n(S(=O)(=O)c4ccc(OC)cc4)c13)C(=O)N(C)C2 ZINC000199734341 JG Annotated Anodyne COCC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4c(-c5ccccc5)cccc4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000199738384 JG Annotated Anodyne C#CCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)C)O[C@@H]2C2CC2)N(Cc2ccccc2)C1=O ZINC000199742223 JG Annotated Mild C#CCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)(C)C)O[C@@H]2C)N(Cc2ccccc2)C1=O ZINC000199747242 JG Annotated Mild COC(=O)[C@]12C[C@H](CC(=O)N3CCOCC3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199747471 JG Annotated Anodyne C#CCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C3CCCC3)O[C@@H]2C)N(Cc2ccccc2)C1=O ZINC000199747932 JG Annotated Mild Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(-c2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000199939790 JG Annotated Anodyne Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1c(Cl)cc(CCCN2CCN(C)CC2)cc1Cl ZINC000199947076 JG Annotated Anodyne CCNC(=O)NCC(=O)N(C)c1ccc(OC)c(COc2cccc3ccc(C)nc23)c1C#N ZINC000002005480 JG Annotated Mild C[C@](O)(CS(=O)(=O)c1ccc(N=C=S)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000002009279 JG Annotated Reactive Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)nc2ccccc21 ZINC000002047652 JG Annotated Anodyne CC(C)[C@@H](C(=O)N[C@@H](C(=O)O)c1ccccc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000002131689 JG Annotated Anodyne Cc1cccc(COc2ccc(C(=O)[C@H]3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccncc3)cc2)c1 ZINC000002253441 JG Annotated Anodyne Cc1cccc(COc2ccc(C(=O)[C@H]3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccncc3)cc2)c1 ZINC000002253442 JG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc2)nn1 ZINC000002305057 JG Annotated Anodyne COc1ccc(/C=N\n2cnc3c([nH]c4ccc(Br)cc43)c2=O)cc1CN1CCOCC1 ZINC000002305514 JG Annotated Mild COC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(C)o3)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000002319424 JG Annotated Anodyne COC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(C)o3)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000002319425 JG Annotated Anodyne Cc1cc(C(=O)[C@@H]2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)ccc1OCc1ccccc1 ZINC000002339852 JG Annotated Anodyne Cc1cc(C(=O)[C@H]2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)ccc1OCc1ccccc1 ZINC000002339856 JG Annotated Anodyne CCN1C(=O)/C(=c2/sc3nc(-c4cccc(C)c4)nn3c2=O)c2cc(Br)ccc21 ZINC000002395583 JG Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(CCCN(C)C)[C@H]3c3ccccc3F)oc12 ZINC000002428014 JG Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(CCCN(C)C)[C@@H]3c3ccccc3F)oc12 ZINC000002428015 JG Annotated Anodyne CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002456150 JG Annotated Anodyne COc1ccc(N(C)S(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)c(OC)c1 ZINC000002457162 JG Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N[C@@H]3CCCC[C@@H]3C)c21 ZINC000002458880 JG Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N[C@H]3CCCC[C@H]3C)c21 ZINC000002458883 JG Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCCC[C@@H]3CC)c21 ZINC000002459241 JG Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCCC[C@H]3CC)c21 ZINC000002459242 JG Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)c21 ZINC000002459250 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NC[C@H]3COc4ccccc4O3)c(C)c2c1 ZINC000002459886 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NC[C@@H]3COc4ccccc4O3)c(C)c2c1 ZINC000002459888 JG Annotated Anodyne O=C(C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000002460740 JG Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N3CCC(C)CC3)c21 ZINC000002461314 JG Annotated Anodyne C[C@@H](CCc1ccccc1)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000002464851 JG Annotated Anodyne C[C@H](CCc1ccccc1)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000002464853 JG Annotated Anodyne CC(C)C[C@]1(C(=O)O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000002466166 JG Annotated Anodyne O=c1c2sccc2n(Cc2cc(=O)n3ccccc3n2)c(=O)n1-c1ccc(F)c(Cl)c1 ZINC000002466755 JG Annotated Anodyne Cc1sc2c(c1C)c(=O)n(-c1ccc3c(c1)OCO3)c(=O)n2CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000002466851 JG Annotated Anodyne Cc1sc2c(c1C)c(=O)n(-c1ccc3c(c1)OCO3)c(=O)n2CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000002466853 JG Annotated Anodyne COCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002480422 JG Annotated Bother COCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000002480939 JG Annotated Bother COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCCOCCO)cc1 ZINC000002481012 JG Annotated Bother COc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCOCCO)c(OC)c1OC ZINC000002482021 JG Annotated Anodyne O=C(NCCOCCO)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002482055 JG Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCOCCO)c([N+](=O)[O-])cc1OC ZINC000002482066 JG Annotated Bother CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCCCN1CCCC1=O ZINC000002483469 JG Annotated Bother COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NCCOCCO)cc1OC ZINC000002483851 JG Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@H](C)C(=O)N2 ZINC000002486420 JG Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002487510 JG Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002487512 JG Annotated Anodyne CN=C(S)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002487810 JG Annotated Mild CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000002488008 JG Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000002488010 JG Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000002488014 JG Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000002488018 JG Annotated Anodyne CC1(C)C[C@@H](NCCCN2CCCC2=O)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000002488182 JG Annotated Anodyne CC1(C)C[C@H](NCCCN2CCCC2=O)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000002488183 JG Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002489277 JG Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002489278 JG Annotated Anodyne O=C1CCCN1CCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002489574 JG Annotated Anodyne O=C1CCCN1CCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002489576 JG Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491557 JG Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491559 JG Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002491682 JG Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002491683 JG Annotated Anodyne COCCCN[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002491736 JG Annotated Anodyne COCCCN[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002491738 JG Annotated Anodyne COCCCN[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002491745 JG Annotated Anodyne COCCCN[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002491746 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCCCN1CCCC1=O)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000002491821 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCCCN1CCCC1=O)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000002491823 JG Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](NCc1ccc(OC)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491875 JG Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(OC)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491877 JG Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492319 JG Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492320 JG Annotated Anodyne O=C1CCCN1CCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492389 JG Annotated Anodyne O=C1CCCN1CCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492390 JG Annotated Anodyne C/N=C(\S)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000002492624 JG Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](NCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000002492691 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000002492692 JG Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000002492715 JG Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000002492716 JG Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000002492718 JG Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000002492719 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCc4ccccc43)N(C(=O)c3cnccn3)C2)c1 ZINC000002493305 JG Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N/C(=O)c1ccc(C)cc1 ZINC000002496094 JG Annotated Bother CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCN(c3ccccc3F)CC2)C[C@@H]1C ZINC000002496545 JG Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCN(c3ccccc3F)CC2)C[C@H]1C ZINC000002496548 JG Annotated Anodyne CN(CCO)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000002497968 JG Annotated Anodyne COc1cc2c(=O)n(Cc3ccco3)c(=O)n(CC(=O)c3ccc(Br)cc3)c2cc1OC ZINC000002498545 JG Annotated Anodyne Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(CC(=O)NC(C)(C)C)c2cccc(C)c2C)cc1 ZINC000020097681 JG Annotated Anodyne O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C2CC2)C(=O)[C@H]13 ZINC000020106450 JG Annotated Anodyne O=C(NC1CCCCC1)[C@H]1N(C2CC2)C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]12O3 ZINC000020106452 JG Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1Cl ZINC000020106589 JG Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1Cl ZINC000020106591 JG Annotated Anodyne CSc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)c1 ZINC000020106733 JG Annotated Anodyne CSc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)c1 ZINC000020106735 JG Annotated Anodyne Cc1sc2ncn(CC(=O)Nc3ccc(F)cc3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000020116849 JG Annotated Anodyne COc1ccc([C@@H]2N[C@@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]32)c(OC)c1 ZINC000020138036 JG Annotated Anodyne COc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000020138142 JG Annotated Anodyne COc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccccc3F)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000020138177 JG Annotated Anodyne COc1ccc([C@@H]2N[C@@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]32)cc1 ZINC000020138330 JG Annotated Anodyne COc1ccc([C@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1 ZINC000020138373 JG Annotated Anodyne COc1ccc([C@@H]2N[C@@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]32)cc1OC ZINC000020138432 JG Annotated Anodyne CC(C)[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020141127 JG Annotated Anodyne CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020141130 JG Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/CCN2CCOCC2)[C@@H]1c1c[nH]c2ccccc12 ZINC000020155743 JG Annotated Mild COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/CCN2CCOCC2)[C@H]1c1c[nH]c2ccccc12 ZINC000020155745 JG Annotated Mild COCCN1C(=O)c2ccccc2[C@@H](/C(O)=N/CCN2CCOCC2)[C@@H]1c1c[nH]c2ccccc12 ZINC000020155747 JG Annotated Mild COCCN1C(=O)c2ccccc2[C@@H](/C(O)=N/CCN2CCOCC2)[C@H]1c1c[nH]c2ccccc12 ZINC000020155749 JG Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000020169188 JG Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000020169190 JG Annotated Mild COc1cc(=O)n2c(c1C(=O)N(C)Cc1cscn1)CCN(Cc1c(C)[nH]c3ccccc13)CC2 ZINC000020207434 JG Annotated Anodyne COc1ccccc1C(=O)N1CCC[C@@H](c2nc(SCCN3CCOCC3)ncc2C)C1 ZINC000020209364 JG Annotated Anodyne COc1ccccc1C(=O)N1CCC[C@H](c2nc(SCCN3CCOCC3)ncc2C)C1 ZINC000020209370 JG Annotated Anodyne CC[C@@H](C)N1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccco3)CC2)CC1 ZINC000020239657 JG Annotated Anodyne CC[C@H](C)N1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccco3)CC2)CC1 ZINC000020239660 JG Annotated Anodyne COC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(Cc1ccc3c(c1)CCCN3C)CC2 ZINC000020351021 JG Annotated Clean CC1CCN(c2c(NCc3ccc(C(=O)N4CCn5c4nc4ccccc45)cc3)c(=O)c2=O)CC1 ZINC000020414644 JG Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)N[C@H](C)C45CC6CC(CC(C6)C4)C5)C3)sc2n1 ZINC000020416635 JG Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)C3)sc2n1 ZINC000020416637 JG Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)N[C@H](C)C45CC6CC(CC(C6)C4)C5)C3)sc2n1 ZINC000020416639 JG Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)C3)sc2n1 ZINC000020416641 JG Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CCN(Cc1cccc3ccccc13)CC2 ZINC000020452313 JG Annotated Anodyne CCOC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)c2sc(C)nc2C)CCO3)CC1 ZINC000020454127 JG Annotated Anodyne COC(=O)c1c(OCc2cccnc2)cc(=O)n2c1CCN(Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000020454419 JG Annotated Anodyne Cc1cc2c(c(C)c1[C@@H](O)CO)C(=O)[C@]1(C)[C@H]2[C@@H]2c3cc(C)c([C@@H](O)CO)c(C)c3C(=O)[C@@]21C ZINC000200045820 JG Annotated Anodyne CC(C)[C@@H](NC(=O)N[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 ZINC000200475942 JG Annotated Anodyne CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 ZINC000200491235 JG Annotated Anodyne COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC(=O)Oc2ccccc2)C(C)C)ccc1OC ZINC000200710725 JG Annotated Anodyne COC[C@@H]1[C@H]2Oc3c(c(OC)c4ccc(=O)oc4c3OC)[C@H]2[C@H]1c1cc2c(cc1OC)OCO2 ZINC000200894046 JG Annotated Anodyne Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)c(=O)n(-c2ccccc2)n1C ZINC000201439925 JG Annotated Anodyne Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)c(=O)n(-c2ccccc2)n1C ZINC000201439958 JG Annotated Anodyne O=C(C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000201469855 JG Annotated Anodyne O=C(C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000201469893 JG Annotated Anodyne O=C(COC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1F ZINC000201471585 JG Annotated Bother C=C(C)[C@@H]1C[C@@]2(C)C(=O)O[C@]1(C(=O)[C@@H](C)CC)[C@]2(O)[C@]12C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(C1)OC2=O ZINC000201551218 JG Annotated Mild C=C(C)[C@@H]1C[C@@]2(C)C(=O)O[C@]1(C(=O)[C@@H](C)CC)[C@]2(O)[C@]12C[C@H]3[C@H](CC[C@@]3(C)O)[C@](C)(C1)OC2=O ZINC000201551254 JG Annotated Mild COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](O)C=C[C@]1(C)[C@H]1CC[C@@]2(C)[C@H](c3ccoc3)C[C@@H](O)[C@]23O[C@]13C ZINC000201555776 JG Annotated Anodyne COC(=O)[C@H](O)[C@H]1C(C)(C)C(=O)C=C[C@]1(C)[C@H]1CC[C@@]2(C)[C@H](c3ccoc3)C[C@@H](O)[C@]23O[C@]13C ZINC000201555823 JG Annotated Mild COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN(C)C)cc2)CC3)cc1 ZINC000201957533 JG Annotated Anodyne CCCNCCCn1c2c(c3cc(OC)c(OC)cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3 ZINC000201964733 JG Annotated Clean O=C(c1ccc(SCc2ccccc2B(O)O)nc1)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000202739152 JG Annotated Reactive CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)N1CCSCC1 ZINC000203455891 JG Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)N1CCSCC1 ZINC000203456088 JG Annotated Anodyne COCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)(C)C)O[C@@H]2C)N(Cc2ccco2)C1=O ZINC000203458057 JG Annotated Anodyne C#CCNC(=O)C[C@@H]1C(=O)N(Cc2ccc(OC)cc2)C2=CCCCCC[C@@]21C(=O)OCC ZINC000203464337 JG Annotated Mild CCOC(=O)[C@]12CCCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)N1CCOCC1 ZINC000203464401 JG Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3ccc(N4CCOCC4)cc3[C@@H]2C[C@@H]1N(C)C(=O)c1ccccc1F ZINC000203467177 JG Annotated Anodyne COCC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4cccc(-c5cccc(F)c5)c4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000203467401 JG Annotated Anodyne CCOC(=O)CC[C@@]1(C(=O)OCC)C[C@@H](CC(=O)NCc2cccs2)C(=O)N2CCCC=C21 ZINC000203469099 JG Annotated Anodyne CCOC(=O)CC[C@@]1(C(=O)OCC)C[C@@H](CC(=O)NCc2ccc(C)o2)C(=O)N2CCCC=C21 ZINC000203469173 JG Annotated Anodyne CCOC(=O)[C@@]12CCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)N1CCOCC1 ZINC000203469362 JG Annotated Anodyne CC(C)CN1C(=O)C[C@@]2(C(=O)N(C)c3ccc(NS(=O)(=O)C4CC4)cc32)[C@H]1c1ccccc1 ZINC000203470112 JG Annotated Anodyne CC(C)CN1C(=O)C[C@@]2(C(=O)N(C)c3ccc(NS(=O)(=O)C4CC4)cc32)[C@@H]1c1ccccc1 ZINC000203470117 JG Annotated Anodyne CC(C)CN1C(=O)C[C@]2(C(=O)N(C)c3ccc(NS(=O)(=O)C4CC4)cc32)[C@H]1c1ccccc1 ZINC000203470197 JG Annotated Anodyne CC(C)CN1C(=O)C[C@]2(C(=O)N(C)c3ccc(NS(=O)(=O)C4CC4)cc32)[C@@H]1c1ccccc1 ZINC000203470202 JG Annotated Anodyne CC(C)CN1C(=O)[C@]2(CC(=O)N(C)[C@@H]2c2ccccc2)c2cc(-n3cc(CN(C)C)nn3)ccc21 ZINC000203470368 JG Annotated Anodyne CC(C)CN1C(=O)[C@]2(CC(=O)N(C)[C@H]2c2ccccc2)c2cc(-n3cc(CN(C)C)nn3)ccc21 ZINC000203470372 JG Annotated Anodyne CC(C)CN1C(=O)[C@@]2(CC(=O)N(C)[C@@H]2c2ccccc2)c2cc(-n3cc(CN(C)C)nn3)ccc21 ZINC000203470405 JG Annotated Anodyne CC(C)CN1C(=O)[C@@]2(CC(=O)N(C)[C@H]2c2ccccc2)c2cc(-n3cc(CN(C)C)nn3)ccc21 ZINC000203470412 JG Annotated Anodyne CC(C)CN1C(=O)[C@@]2(CC(=O)N(C)[C@@H]2c2ccccc2)c2cc(-n3cc(C(C)(C)O)nn3)ccc21 ZINC000203470798 JG Annotated Anodyne CC(C)CN1C(=O)[C@@]2(CC(=O)N(C)[C@H]2c2ccccc2)c2cc(-n3cc(C(C)(C)O)nn3)ccc21 ZINC000203470803 JG Annotated Anodyne COCc1cn(-c2ccc3c(c2)[C@@]2(CC(=O)N(C)[C@@H]2c2ccccc2)C(=O)N3CC(C)C)nn1 ZINC000203470851 JG Annotated Anodyne COCc1cn(-c2ccc3c(c2)[C@@]2(CC(=O)N(C)[C@H]2c2ccccc2)C(=O)N3CC(C)C)nn1 ZINC000203470858 JG Annotated Anodyne COCc1cn(-c2ccc3c(c2)[C@]2(CC(=O)N(C)[C@@H]2c2ccccc2)C(=O)N3CC(C)C)nn1 ZINC000203470895 JG Annotated Anodyne COCc1cn(-c2ccc3c(c2)[C@]2(CC(=O)N(C)[C@H]2c2ccccc2)C(=O)N3CC(C)C)nn1 ZINC000203470900 JG Annotated Anodyne COC(=O)[C@H]1C[C@@]2(n3ccc4ccccc43)c3ccccc3N(S(=O)(=O)c3ccccc3)[C@H]2N1 ZINC000203471037 JG Annotated Anodyne C[C@@]12C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3[C@@H]1N(S(=O)(=O)c1ccccc1)c1ccccc12 ZINC000203471097 JG Annotated Anodyne CCOC(=O)[C@]12CCCC3=C1N(CCC3)C(=O)[C@@H](CC(=O)NCc1ccc(OC)c(OC)c1)C2 ZINC000203472479 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000203473472 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000203473601 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000203473606 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000203473615 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000203473624 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000203473690 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4OC)cc3C(=O)N2C)O1 ZINC000203473805 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccc(F)c(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000203474385 JG Annotated Anodyne O=C1CSc2ccc(C(=O)N3CCC[C@@H](C(=O)N4CCCN(Cc5ccccc5)CC4)C3)cc2N1 ZINC000203474550 JG Annotated Anodyne O=C1CSc2ccc(C(=O)N3CCC[C@H](C(=O)N4CCCN(Cc5ccccc5)CC4)C3)cc2N1 ZINC000203474554 JG Annotated Anodyne O=C1CSc2ccc(C(=O)N3CCC[C@@H](C(=O)N4CCN(c5ccc(F)cc5)CC4)C3)cc2N1 ZINC000203474584 JG Annotated Anodyne O=C1CSc2ccc(C(=O)N3CCC[C@H](C(=O)N4CCN(c5ccc(F)cc5)CC4)C3)cc2N1 ZINC000203474591 JG Annotated Anodyne CC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cc(C)no3)cc12 ZINC000203798655 JG Annotated Anodyne O=C(NCC#Cc1ccc2ncc3[nH]cnc3c2c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O ZINC000204226143 JG Annotated Mild CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CC3=CB(O)OC3)S(C)(=O)=O)c(C3CC3)cc12 ZINC000204856284 JG Annotated Anodyne CC(C)(C)OC(=O)N1CC=C(c2cccc3c2CCN(S(=O)(=O)Nc2ncns2)C3)CC1 ZINC000204958993 JG Annotated Anodyne CC(C)(C)[C@H](CO)N/C=C1\C=C(I)C=C(I)C1=O ZINC000204987888 JG Annotated Mild CC(C)(C(=O)O)c1ccc(Nc2nn([C@H]3CC[C@H](N4CCC4)C[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000204991696 JG Annotated Mild CC(C)(C(=O)O)c1ccc(Nc2nn([C@H]3CC[C@@H](N4CCC4)C[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000204991741 JG Annotated Mild N#C[C@H]1C[C@@H](NC2COC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(CC(F)(F)F)cc2)n1 ZINC000204991786 JG Annotated Mild N#C[C@H]1C[C@H](NC2COC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(CC(F)(F)F)cc2)n1 ZINC000204991826 JG Annotated Mild OCCn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCOCC6)cc5c4)n3c2)cn1 ZINC000204999963 JG Annotated Anodyne CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000020502667 JG Annotated Anodyne CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@H]32)cc1 ZINC000020502669 JG Annotated Anodyne CN1C(=O)[C@@]2(c3ccccc31)N(C)C[C@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccco2)C1=O ZINC000020503990 JG Annotated Clean Cc1nn([C@@H](C)C(=O)N2CCN(C3CCCCC3)CC2)c(=O)c2nn(-c3ccccc3)c(C)c12 ZINC000020563315 JG Annotated Anodyne Cc1nn([C@H](C)C(=O)N2CCN(C3CCCCC3)CC2)c(=O)c2nn(-c3ccccc3)c(C)c12 ZINC000020563317 JG Annotated Anodyne Cc1nn([C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2nn(-c3ccccc3)c(C)c12 ZINC000020563331 JG Annotated Anodyne Cc1nn([C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2nn(-c3ccccc3)c(C)c12 ZINC000020563333 JG Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCN3CCOCC3)cnn2-c2ccccc2)CC1 ZINC000020575586 JG Annotated Anodyne O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)CC1 ZINC000020581008 JG Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(C)C2CCCCC2)CC1 ZINC000020582297 JG Annotated Anodyne O=C(c1c[nH]c2ccc(S(=O)(=O)N3CCCC[C@@H]3c3cccnc3)cc2c1=O)N1CCCC1 ZINC000020754024 JG Annotated Anodyne O=C(c1c[nH]c2ccc(S(=O)(=O)N3CCCC[C@H]3c3cccnc3)cc2c1=O)N1CCCC1 ZINC000020754028 JG Annotated Anodyne CC(C)(CNC(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1)N1CCOCC1 ZINC000020857016 JG Annotated Anodyne CC(C)Cc1nnc(NC(=O)CSc2nc(-c3ccccc3F)nc3cc(=O)[nH]n23)s1 ZINC000020986982 JG Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C2=COC3=NC(=O)N(Cc4cccc(Cl)c4)CCN23)cc1 ZINC000205207082 JG Annotated Anodyne O=C(NCCC(F)(F)F)C1=CN2CCN(Cc3ccccc3C(F)(F)F)C(=O)N=C2O1 ZINC000205207126 JG Annotated Anodyne O=C(Nc1cccc(-n2cncn2)c1)C1=CN2CCN(Cc3cccc(Cl)c3)C(=O)N=C2O1 ZINC000205207172 JG Annotated Anodyne CS(=O)(=O)Nc1cccc(NC(=O)c2csc(N3CCN(Cc4ccccc4)C3=O)n2)c1 ZINC000205208857 JG Annotated Anodyne O=C(Nc1cccc(-n2cncn2)c1)C1=CN2CCN(Cc3ccccc3C(F)(F)F)C(=O)N=C2O1 ZINC000205209663 JG Annotated Anodyne COc1ccc(NC(=O)C2=CN3CCN(Cc4ccccc4C(F)(F)F)C(=O)N=C3O2)cn1 ZINC000205209774 JG Annotated Anodyne Cc1noc(C)c1CN1CCN2C=C(C(=O)Nc3cccc(OC(F)(F)F)c3)OC2=NC1=O ZINC000205212266 JG Annotated Anodyne CN(C)c1ccc(CNC(=O)C2=CN3CCN(Cc4cccc(Cl)c4)C(=O)N=C3O2)cc1 ZINC000205212419 JG Annotated Clean CS(=O)(=O)Nc1cccc(NC(=O)c2cnc(N3CCN(Cc4ccccc4C#N)C3=O)s2)c1 ZINC000205215511 JG Annotated Mild N#Cc1cccc(CN2CCN3C(C(=O)Nc4ccc(-n5cccc5)cc4)=COC3=NC2=O)c1 ZINC000205226546 JG Annotated Mild CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)N(CCN2CCOCC2)C(=O)COC3)c1 ZINC000205226775 JG Annotated Anodyne CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)COCC(=O)N3CCN2CCOCC2)c1 ZINC000205232670 JG Annotated Anodyne CC[C@@H](C)CC(=O)O[C@H]1C=C2C(COC(C)=O)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)CCl ZINC000205244580 JG Annotated Reactive Cc1cccc(C(=O)N[C@@H]2C[C@H](c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCOCC3)C2)n1 ZINC000205252402 JG Annotated Anodyne Cc1cccc(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCOCC3)C2)n1 ZINC000205252419 JG Annotated Anodyne Cc1cccc(C(=O)N[C@@H]2C[C@@H](c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCOCC3)C2)n1 ZINC000205252433 JG Annotated Anodyne Cc1cccc(C(=O)N[C@H]2C[C@@H](c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCOCC3)C2)n1 ZINC000205252447 JG Annotated Anodyne Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCNC(=O)CCc3ccccc3)=[N+]1[B-]2(F)F ZINC000205291074 JG Annotated Anodyne C=C1C[C@@H](OC(C)=O)[C@H](C(C)(C)OC(C)=O)[C@@H]2[C@H]1[C@H]1C/C(C)=C\C[C@H](OC(C)=O)[C@@](C)(O)[C@@H]2O1 ZINC000205379654 JG Annotated Mild C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2C(C)=C[C@@H](OC(C)=O)[C@@H]3C(C)(C)OC(C)=O)[C@](C)(OC(C)=O)CC[C@@H]1O ZINC000205379696 JG Annotated Mild CNC(=O)CN(Cc1ccc(Cl)cc1)C(=O)[C@]1(C)CCN1C(=O)Cc1cc(C)cc(C)c1 ZINC000205413091 JG Annotated Anodyne CNC(=O)CN(Cc1ccc(Cl)cc1)C(=O)[C@@]1(C)CCN1C(=O)Cc1cc(C)cc(C)c1 ZINC000205413104 JG Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@@]2(C)C(=O)N(CCC(N)=O)Cc2ccc(Cl)cc2)c1 ZINC000205413303 JG Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@]2(C)C(=O)N(CCC(N)=O)Cc2ccc(Cl)cc2)c1 ZINC000205413315 JG Annotated Anodyne Nc1noc2cc(NC(=O)[C@@H](O)c3cccn(-c4ccc(OC(F)(F)F)cc4)c3=O)ccc12 ZINC000205449570 JG Annotated Anodyne Nc1noc2cc(NC(=O)[C@H](O)c3cccn(-c4ccc(OC(F)(F)F)cc4)c3=O)ccc12 ZINC000205449582 JG Annotated Anodyne Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(n1[C@H](C)C(=O)O)CCNC2=O ZINC000205459094 JG Annotated Anodyne Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(n1[C@@H](C)C(=O)O)CCNC2=O ZINC000205459116 JG Annotated Anodyne C[C@H](c1ccccc1C1(F)CNC1)n1c(=O)oc2cc(S(=O)(=O)Nc3nccs3)c(F)cc21 ZINC000205463536 JG Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc32)[C@@H](CN2CC[C@@H](F)C2)CN1 ZINC000205466913 JG Annotated Anodyne C/C=C(\C)C(=O)[C@@H](C)C1=CC(=O)C2=C(O[C@@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)C[C@H](O)[C@]4(C)[C@H]3C2)C1=O ZINC000205468079 JG Annotated Mild C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4F)cc32)[C@@H](CN2CC[C@@H](F)C2)CN1 ZINC000205468274 JG Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccccc3Cl)cc21 ZINC000205479341 JG Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3cccc(Cl)c3)cc21 ZINC000205480031 JG Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[C@]5(CCCN5)C4=O)cn3)nc2n1C1CCCC1 ZINC000205545903 JG Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[C@@]5(CCCN5)C4=O)cn3)nc2n1C1CCCC1 ZINC000205545921 JG Annotated Anodyne Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@H]1C[C@@H](F)[C@H](N)CCO1 ZINC000205646018 JG Annotated Anodyne C=C1C[C@@]23C[C@@]1(O)CCC2=C1C=C[C@@H](OC(=O)c2ccccc2)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000205703008 JG Annotated Mild C=C1C[C@@]23C[C@@]1(O)CCC2=C1C=C[C@H](OC(=O)c2ccccc2)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000205703027 JG Annotated Mild Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Br)cc2)c1C(=O)N1CCN(CCO)CC1 ZINC000205703585 JG Annotated Anodyne NCCCOc1c(Br)cc(CCN/C=C2\C(=O)C[C@H](Cl)C2=O)cc1Br ZINC000205707137 JG Annotated Reactive NCCCOc1c(Br)cc(CCN/C=C2\C(=O)C[C@@H](Cl)C2=O)cc1Br ZINC000205707164 JG Annotated Reactive C=C1C[C@H]2O[C@H]([C@@H]3[C@@H]([C@@H](C)COC(C)=O)CCC(=C)[C@H]23)[C@](C)(O)[C@@H](OC(=O)CCC)C[C@@H]1O ZINC000205846931 JG Annotated Mild C=C1[C@@H]2CC[C@@H]3[C@@H](O)[C@@]2(C[C@H]2O[C@@H](c4ccc(O)c(O)c4)O[C@@]24[C@H]1C[C@H](O)C4(C)C)C[C@@]3(C)O ZINC000205950734 JG Annotated Mild O=c1cc(-c2nc(NC3CCOCC3)ncc2F)ccn1[C@H](CO)c1ccc(Cl)c(F)c1 ZINC000205989011 JG Annotated Anodyne COc1ccc(S[C@]2(C(=O)NCC(F)(F)F)CC(=O)N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000206024591 JG Annotated Anodyne CCOC(=O)[C@H](NCc1ccccc1NC(=O)OC(C)(C)C)c1nnnn1Cc1ccccc1 ZINC000206062514 JG Annotated Anodyne CCOC(=O)[C@@H](NCc1ccccc1NC(=O)OC(C)(C)C)c1nnnn1Cc1ccccc1 ZINC000206062539 JG Annotated Anodyne C[C@@](O)(c1ccc(Nc2nn([C@H]3CC[C@H](N4CCC4)C[C@@H]3C#N)cc2C(N)=O)cc1)C(F)(F)F ZINC000206470332 JG Annotated Mild C[C@@](O)(c1ccc(Nc2nn([C@H]3CC[C@@H](N4CCC4)C[C@@H]3C#N)cc2C(N)=O)cc1)C(F)(F)F ZINC000206470405 JG Annotated Mild COc1ccc2ncc(F)c(CCN3CCC[C@@H](CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1 ZINC000206815198 JG Annotated Anodyne COc1ccc(F)c(-c2nn([C@@H]3c4cc(F)cc(F)c4C[C@H]3O)c3c2CN(C(C)=O)CC3)c1 ZINC000206888178 JG Annotated Anodyne COC(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2[C@@H]2c3cc(F)cc(F)c3C[C@H]2O)C1 ZINC000206895016 JG Annotated Mild O=C(NS(=O)(=O)N1CC[C@H](O)C1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000207006700 JG Annotated Anodyne CC(=O)N[C@H]1[C@@H](C)CN(c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]1N ZINC000207134153 JG Annotated Anodyne COCCN(CCCO)c1cc(N2CCCC2)nc2cc(-c3nc4cc(C)ccc4nc3C)nn12 ZINC000207230095 JG Annotated Anodyne Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 ZINC000207472350 JG Annotated Anodyne CCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(=O)N2CCCC2)c2ncccc23)CC1 ZINC000207535490 JG Annotated Anodyne CCCCCCCCCCCC(=O)O[C@H]1[C@@H](F)[C@H](n2ccc(N)nc2=O)O[C@@]1(CO)CCl ZINC000207829234 JG Annotated Reactive CC(C)[C@@H]1CC(=O)N[C@H](n2nc(C3CC3)cc2NC(=O)COc2cccc3c2OC(C)(C)C3)N1 ZINC000209247571 JG Annotated Anodyne CC(C)[C@H]1CC(=O)N[C@H](n2nc(C3CC3)cc2NC(=O)COc2cccc3c2OC(C)(C)C3)N1 ZINC000209247606 JG Annotated Anodyne CC(C)[C@@H]1CC(=O)N[C@@H](n2nc(C3CC3)cc2NC(=O)COc2cccc3c2OC(C)(C)C3)N1 ZINC000209247642 JG Annotated Anodyne CC(C)[C@H]1CC(=O)N[C@@H](n2nc(C3CC3)cc2NC(=O)COc2cccc3c2OC(C)(C)C3)N1 ZINC000209247675 JG Annotated Anodyne C=CC(C)(C)[C@]12c3ccccc3N(C(C)=O)[C@H]1N1C(=O)[C@@H](C)n3c(nc4ccccc4c3=O)[C@@H]1[C@@H]2O ZINC000209731647 JG Annotated Mild CCc1nc2nc(CSc3nnc(NC(=O)COc4ccc(C)c(C)c4)s3)cc(O)n2n1 ZINC000021093355 JG Annotated Anodyne C=CCN(CC(=O)O)C(=O)C(C)(C)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1 ZINC000210437107 JG Annotated Mild CCCN(CC(=O)O)C(=O)C(C)(C)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1 ZINC000210440405 JG Annotated Anodyne CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NCCC(=O)O ZINC000210440542 JG Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N1CCC[C@H]1CC(=O)O ZINC000210443994 JG Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NC1(C(=O)O)CCC1 ZINC000210447216 JG Annotated Anodyne CCOC(=O)/C(=C\c1ccc(O)c(O)c1)c1c(O)cc(/C=C\c2ccc(O)c(O)c2)oc1=O ZINC000211025677 JG Annotated Clean CCOC(=O)/C(=C/c1ccc(O)c(O)c1)c1c(O)cc(/C=C\c2ccc(O)c(O)c2)oc1=O ZINC000211025705 JG Annotated Clean CCOC(=O)/C(=C/c1ccc(O)c(O)c1)c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O ZINC000211025738 JG Annotated Clean COc1ccc(C[C@@H]2C(=O)C[C@H]3CCN(S(=O)(=O)c4cn(C)cn4)[C@H]4CCC[C@@H]2[C@@H]43)cc1 ZINC000211062937 JG Annotated Anodyne CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 ZINC000213403648 JG Annotated Anodyne CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccccc2Br)[C@H]1NC(C)=O ZINC000213841918 JG Annotated Anodyne O=c1cc(-c2nc(NC3CCOCC3)ncc2F)ccn1[C@@H](CO)c1ccc(Cl)c(F)c1 ZINC000214093313 JG Annotated Anodyne CC1=C(CCO[P@@](=O)(O)OP(=O)(O)O)S/C(=C(\O)C(C)C)N1Cc1cnc(C)nc1N ZINC000215042286 JG Annotated Anodyne in-vitro C/C=C(/C)C(=O)OCc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](OC(=O)[C@@]1(C)O[C@H]1C)C3 ZINC000215125256 JG Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1n[nH]c(=O)c2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215520737 JG Annotated Anodyne CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(COc3ccccc3Cl)n1CCO2 ZINC000215753936 JG Annotated Mild CC(C)(O)Cn1cc(-c2c(C(N)=O)nc3n2C2CC(C2)c2ccc(C#CC4(O)CCCC4)cc2-3)cn1 ZINC000215761164 JG Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(CC4(C)COC4)n2C2CC3C2)no1 ZINC000215775321 JG Annotated Mild O=C(CN1CCN(c2nn3cnnc3c3ccccc23)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000215913623 JG Annotated Anodyne CNS(=O)(=O)NC(=O)c1cc(Cl)c(COc2ccc3c(c2)OC(C)(C)CC3)cc1F ZINC000216201146 JG Annotated Anodyne O=C(NS(=O)(=O)N1CCOCC1)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216202149 JG Annotated Anodyne O=C(NS(=O)(=O)CCO)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216202973 JG Annotated Anodyne O=C(NS(=O)(=O)N1CC[C@H](O)C1)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216203371 JG Annotated Anodyne O=C(NS(=O)(=O)NCCCO)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216203570 JG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2(C(F)(F)F)CCC2)cc1F ZINC000216245038 JG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1F ZINC000216246381 JG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC23C[C@H]4C[C@@H](CC(CO)(C4)C2)C3)cc1F ZINC000216249717 JG Annotated Anodyne CS(=O)(=O)NC(=O)c1cnc(OCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)c(Cl)c1 ZINC000216249779 JG Annotated Anodyne CC(C)(O)c1cc(C(=O)NS(=O)(=O)N2CCC2)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000216251655 JG Annotated Anodyne CC(=O)c1cc(C(=O)NS(=O)(=O)N2CCC2)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000216251720 JG Annotated Anodyne C[C@H](O)c1cc(C(=O)NS(=O)(=O)N2CCC2)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000216252083 JG Annotated Anodyne C[C@@H](O)c1cc(C(=O)NS(=O)(=O)N2CCC2)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000216252131 JG Annotated Anodyne CNS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2(C#N)C3CC4CC(C3)CC2C4)cc1F ZINC000216255502 JG Annotated Mild O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)cc1F ZINC000216265093 JG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1F ZINC000216265182 JG Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2OC(=O)CCCCCCC)[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000217083158 JG Annotated Mild NC[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C/C1=N/OCc1ccccc1 ZINC000217118630 JG Annotated Mild NC[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C/C1=N/OCc1ccccc1 ZINC000217118643 JG Annotated Mild C[C@](O)(c1ccc(Nc2nn([C@H]3CC[C@H](N4CCC4)C[C@@H]3C#N)cc2C(N)=O)cc1)C(F)(F)F ZINC000217335214 JG Annotated Mild NCCc1cc(Br)c(OCCCN/C=C2/C(=O)C[C@H](Cl)C2=O)c(Br)c1 ZINC000217507564 JG Annotated Reactive CC(C)[C@H](NC(=O)C(C)(C)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)O ZINC000217578155 JG Annotated Anodyne CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N(C)CC(=O)O ZINC000217583642 JG Annotated Anodyne COCCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000217613757 JG Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc23)cc1)N1CCC(O)(CC2CC2)CC1 ZINC000217614518 JG Annotated Anodyne CC(C)(O)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000217620544 JG Annotated Anodyne CCOCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000217636694 JG Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(Cc2cn[nH]c2)CC1 ZINC000217725406 JG Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4c3OCO4)cc2)CC1 ZINC000217733065 JG Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nc(N)cnc34)cc2)CC1 ZINC000217736881 JG Annotated Anodyne CCn1cnc2c(-c3ccc(CO)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21 ZINC000218113800 JG Annotated Anodyne N[C@@H](CC(=O)N1CC(=O)Nc2cc(Br)ccc2C1)[C@H]1CCc2cc(F)c(F)cc21 ZINC000218135779 JG Annotated Anodyne COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(-c3nc(C4CC4)c4c(N)[nH]nc4n3)cc2)c1 ZINC000218139393 JG Annotated Mild COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccc(Cl)cc3)cc21 ZINC000218996257 JG Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Oc3c(F)cccc3F)cc21 ZINC000219006763 JG Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(C(F)(F)c3ccccc3)cc21 ZINC000219007562 JG Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Oc3ccccc3Cl)cc21 ZINC000219016633 JG Annotated Anodyne CC(C)CC(F)(F)c1cnc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCCC1=O)CC2(C)C ZINC000219023828 JG Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Oc3c(C)cccc3C)cc21 ZINC000219025033 JG Annotated Anodyne CCCC(F)(F)c1cnc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CC[C@@H](F)C1)CC2(C)C ZINC000219027755 JG Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC3(Cc4ccccc4C3)c3ccc(Cl)cc32)[C@@H](Cn2cccn2)CN1 ZINC000219027903 JG Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2CCCC2)CN1 ZINC000219029570 JG Annotated Anodyne CC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cc(F)c(S(=O)(=O)c3ccccc3)cc21 ZINC000219044747 JG Annotated Anodyne N#Cc1cc2c(cc1C(F)(F)F)[nH]c(=O)c1cc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)ccc12 ZINC000219292863 JG Annotated Mild N#Cc1cc2c(cc1C(F)(F)F)[nH]c(=O)c1cc(C[C@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)ccc12 ZINC000219292904 JG Annotated Mild N#C[C@H](Cc1ccc2c(c1)c(=O)[nH]c1cc(C(F)(F)F)ccc12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219293069 JG Annotated Mild COc1cccc(-n2c([C@H](C)Nc3nc(N)nc(N)c3C#N)nc3cccc(Cl)c3c2=O)c1 ZINC000219295151 JG Annotated Anodyne N#C[C@H](Cc1ccc(-c2ccc(C(=O)NC3CCOCC3)cc2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219295944 JG Annotated Mild N#C[C@H](Cc1ccc(-c2csc(C(=O)NC3CCOCC3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219297948 JG Annotated Mild N#C[C@H](Cc1ccc(-c2csc(C(=O)N3CCCC3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219318912 JG Annotated Mild CCCNC(=O)c1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cs1 ZINC000219324476 JG Annotated Mild C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1 ZINC000219326082 JG Annotated Anodyne C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2ccc(F)c(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 ZINC000219330416 JG Annotated Anodyne O=C(Nc1ccn(-c2cnc([C@@H](O)c3cccc(C(F)(F)F)c3)[nH]2)c(=O)c1)c1cscn1 ZINC000219349040 JG Annotated Anodyne O=C(Nc1ccn(-c2cnc([C@H](O)c3cccc(C(F)(F)F)c3)[nH]2)c(=O)c1)c1cscn1 ZINC000219349116 JG Annotated Anodyne Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(CN4CCCC4)n2C2CC3C2)no1 ZINC000219440348 JG Annotated Mild CC(=O)N(Cc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2)C(C)C ZINC000219450663 JG Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CNC(=O)C(C)(C)C ZINC000219462699 JG Annotated Mild Cc1nc([C@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C(F)(F)F)no1 ZINC000219473310 JG Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1-c1nc(-c2cccnc2)n[nH]1 ZINC000219495905 JG Annotated Mild Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C(C)(C)O)no1 ZINC000219497292 JG Annotated Mild COCCN1CCN(c2nc(SCCc3ccccn3)c(C#N)c3c2COC(C)(C)C3)CC1 ZINC000219519027 JG Annotated Mild COc1cccc(OCCOc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3CCCO3)nc2=O)c1 ZINC000219741273 JG Annotated Anodyne COc1cccc(OCCOc2ccc3c(c2)CCn2c-3cc(OC[C@H]3CCCO3)nc2=O)c1 ZINC000219741341 JG Annotated Anodyne COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 ZINC000219780381 JG Annotated Anodyne COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 ZINC000219780593 JG Annotated Anodyne COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)[C@H]1COC(=O)N1 ZINC000219780681 JG Annotated Anodyne COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@H]1COC(=O)N1 ZINC000219788488 JG Annotated Anodyne CN(C)CCCOc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ccccc3O2)nc1=O ZINC000219795955 JG Annotated Anodyne CN(C)CCCOc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ccccc3O2)nc1=O ZINC000219796023 JG Annotated Anodyne COC(=O)c1cccc(COc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3CCCO3)nc2=O)c1 ZINC000219959148 JG Annotated Anodyne COC(=O)c1cccc(COc2ccc3c(c2)CCn2c-3cc(OC[C@H]3CCCO3)nc2=O)c1 ZINC000219959217 JG Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219962965 JG Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219963639 JG Annotated Anodyne in-vitro O[C@H](CSc1ncnc2nc[nH]c12)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022442947 JG Annotated Anodyne Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)(F)F)n2C2CC3C2)no1 ZINC000220009467 JG Annotated Mild COc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ncccc4O3)nc2=O)cn1 ZINC000220077508 JG Annotated Anodyne COc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ncccc4O3)nc2=O)cn1 ZINC000220077577 JG Annotated Anodyne COc1ccccc1OCCOc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2CCCO2)nc1=O ZINC000220113137 JG Annotated Anodyne COc1ccccc1OCCOc1ccc2c(c1)CCn1c-2cc(OC[C@H]2CCCO2)nc1=O ZINC000220113214 JG Annotated Anodyne O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(CN3CCCCC3)ccc1-2 ZINC000220114665 JG Annotated Anodyne O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(CN3CCCCC3)ccc1-2 ZINC000220114740 JG Annotated Anodyne COc1ncccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220116589 JG Annotated Anodyne COc1ncccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220116667 JG Annotated Anodyne COc1nccc(-n2nc(C)c3c2C(=O)N(c2cc(C)c(=O)n(C)c2)[C@@H]3c2ccc(Cl)cc2)n1 ZINC000220159521 JG Annotated Anodyne COc1nccc(-n2nc(C)c3c2C(=O)N(c2cc(C)c(=O)n(C)c2)[C@H]3c2ccc(Cl)cc2)n1 ZINC000220159575 JG Annotated Anodyne N#Cc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ncccc4O3)nc2=O)cn1 ZINC000220165996 JG Annotated Anodyne N#Cc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ncccc4O3)nc2=O)cn1 ZINC000220166058 JG Annotated Anodyne CC(C)(C)c1nc(COc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3CCCO3)nc2=O)no1 ZINC000220168852 JG Annotated Anodyne CC(C)(C)c1nc(COc2ccc3c(c2)CCn2c-3cc(OC[C@H]3CCCO3)nc2=O)no1 ZINC000220168911 JG Annotated Anodyne COCCN1C(=O)COc2c1cnc1ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc21 ZINC000220173436 JG Annotated Anodyne O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(C#C[C@@H](O)c3ccccc3)ccc1-2 ZINC000220175971 JG Annotated Mild O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(C#C[C@H](O)c3ccccc3)ccc1-2 ZINC000220176044 JG Annotated Mild O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(C#C[C@@H](O)c3ccccc3)ccc1-2 ZINC000220176105 JG Annotated Mild O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(C#C[C@H](O)c3ccccc3)ccc1-2 ZINC000220176177 JG Annotated Mild Cc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ncccc4O3)nc2=O)cn1 ZINC000220178180 JG Annotated Anodyne Cc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ncccc4O3)nc2=O)cn1 ZINC000220178249 JG Annotated Anodyne O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(OC[C@@H]3CCCCO3)ccc1-2 ZINC000220193868 JG Annotated Anodyne O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(OC[C@@H]3CCCCO3)ccc1-2 ZINC000220193946 JG Annotated Anodyne O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(OC[C@H]3CCCCO3)ccc1-2 ZINC000220193998 JG Annotated Anodyne O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(OC[C@H]3CCCCO3)ccc1-2 ZINC000220194073 JG Annotated Anodyne NC1(C#Cc2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ncccc4O3)nc2=O)CCCCC1 ZINC000220206284 JG Annotated Mild NC1(C#Cc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ncccc4O3)nc2=O)CCCCC1 ZINC000220206349 JG Annotated Mild COc1cncc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ncccc4O3)nc2=O)c1 ZINC000220206456 JG Annotated Anodyne COc1cncc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ncccc4O3)nc2=O)c1 ZINC000220206538 JG Annotated Anodyne Cc1nn(-c2ccnn2C)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3n1)C2=O ZINC000220243236 JG Annotated Anodyne Cc1nn(-c2ccnn2C)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3n1)C2=O ZINC000220243309 JG Annotated Anodyne O=C(CO)N1CC=C(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220306647 JG Annotated Anodyne O=C(CO)N1CC=C(c2cc3c(-c4cncc(NCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220326595 JG Annotated Anodyne OC[C@@H](O)CN1CC=C(c2cc3c(-c4cncc(NCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220345525 JG Annotated Anodyne OC[C@H](O)CN1CC=C(c2cc3c(-c4cncc(NCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220345605 JG Annotated Anodyne O=C(CO)N1CCC(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220365964 JG Annotated Anodyne OC[C@@H](O)CN1CCC(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220366056 JG Annotated Anodyne OC[C@H](O)CN1CCC(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220366119 JG Annotated Anodyne C=CC(=O)N1C[C@H](COc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)[C@@H](C(F)(F)F)C1 ZINC000220414452 JG Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(CCC(=O)C(=O)NC3CC3)C2=O)cc1 ZINC000220627946 JG Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(C2CC2)CC1 ZINC000220753521 JG Annotated Anodyne O=C(O)c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(Br)cc34)CC2)o1 ZINC000220769479 JG Annotated Anodyne CN1C(=O)C(C)(C)c2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cc21 ZINC000220833383 JG Annotated Mild N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)n1 ZINC000221106323 JG Annotated Mild N#C[C@H]1C[C@@H](N2CC(O)(C(F)(F)F)C2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221122334 JG Annotated Mild N#C[C@H]1C[C@@H](N2CC(O)(C(F)(F)F)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221122391 JG Annotated Mild CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCn4cnnc4C3)cc2)n1 ZINC000221127391 JG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N3CCN(C)CC3)cc2)n1 ZINC000221127484 JG Annotated Anodyne CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc21 ZINC000221146611 JG Annotated Anodyne N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)Nc3ccncc3)cc2)n1 ZINC000221167250 JG Annotated Mild N#C[C@H]1C[C@@H](NCC2(O)CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221173476 JG Annotated Mild N#C[C@H]1C[C@H](NCC2(O)CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221173597 JG Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)n1 ZINC000221176663 JG Annotated Mild N#C[C@H]1C[C@@H](C(=O)N2CC(F)(F)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221197754 JG Annotated Mild CCOC(=O)[C@H]1C(=O)C(Cc2c[nH]c3ncccc23)=C/C1=N\c1ccc(OCCO)cc1F ZINC000221218164 JG Annotated Mild CCOC(=O)[C@@H]1C(=O)C(Cc2c[nH]c3ncccc23)=C/C1=N\c1ccc(OCCO)cc1F ZINC000221218233 JG Annotated Mild Cc1cc(OCCO)ccc1/N=C1\O/C(=C\c2c[nH]c3ncccc23)C(=O)[C@H]1C(=O)OC(C)C ZINC000221218569 JG Annotated Mild Cc1cc(OCCO)ccc1/N=C1\O/C(=C\c2c[nH]c3ncccc23)C(=O)[C@@H]1C(=O)OC(C)C ZINC000221218622 JG Annotated Mild N#C[C@H]1C[C@@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc([C@H](O)C(F)(F)F)cc2)n1 ZINC000221220025 JG Annotated Mild N#C[C@H]1C[C@@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc([C@@H](O)C(F)(F)F)cc2)n1 ZINC000221220087 JG Annotated Mild N#C[C@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)CC(F)(F)F)cc2)n1 ZINC000221224876 JG Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)CC(F)(F)F)cc2)n1 ZINC000221224940 JG Annotated Mild N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)CC(F)(F)F)cc2)n1 ZINC000221224998 JG Annotated Mild N#C[C@@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)CC(F)(F)F)cc2)n1 ZINC000221225059 JG Annotated Mild N#C[C@H]1C[C@@H](NC2CC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC000221226439 JG Annotated Mild N#C[C@H]1C[C@@H](NC2CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC000221226504 JG Annotated Mild N#C[C@H]1C[C@H](NC2CC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC000221226560 JG Annotated Mild N#C[C@H]1C[C@H](NC2CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC000221226611 JG Annotated Mild CC(C)(O)C1CN(C(=O)[C@@H]2CC[C@@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@H](C#N)C2)C1 ZINC000221246913 JG Annotated Mild CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cncnc34)cc2)CC1 ZINC000221266667 JG Annotated Anodyne COC1CN(c2cc(C3CCN(C4COC4)CC3)cc(-c3cnc(N)c(C(F)(F)F)c3)n2)C1 ZINC000221270062 JG Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccn4ccnc34)cc2)CC1 ZINC000221277742 JG Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(CN2CCCC2)CC1 ZINC000221278998 JG Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4[nH]cnc34)cc2)CC1 ZINC000221279805 JG Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccnc2)cc1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000221280113 JG Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc23)cc1)N1CCC(O)(c2ccns2)CC1 ZINC000221280604 JG Annotated Anodyne Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)cc(N3CC(F)C3)n2)cc1C(F)(F)F ZINC000221282424 JG Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000221284681 JG Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4c3OCC4)cc2)CC1 ZINC000221284769 JG Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000221285533 JG Annotated Clean CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4ncc(N)nc34)cc2)CC1 ZINC000221288737 JG Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cncc4cccnc34)cc2)CC1 ZINC000221303365 JG Annotated Anodyne CCCCC[C@H](CC)C/N=C(\N)N/C(N)=N/CCCC/N=C(\N)N/C(N)=N/C[C@@H](CC)CCCC ZINC000221642216 JG Annotated Mild CCCCC[C@@H](CC)C/N=C(\N)N/C(N)=N/CCCC/N=C(\N)N/C(N)=N/C[C@H](CC)CCCC ZINC000221642278 JG Annotated Mild CCCCC[C@H](CC)C/N=C(\N)N/C(N)=N/CCCC/N=C(\N)N/C(N)=N/C[C@H](CC)CCCC ZINC000221642338 JG Annotated Mild Cc1cc(C)n2c1C=C1C=CC(CCC(=O)N3CC(=O)N4CCc5ccccc5[C@@H]4C3)=[N+]1[B-]2(F)F ZINC000221698989 JG Annotated Anodyne Cc1cc(C)n2c1C=C1C=CC(CCC(=O)N3CC(=O)N4CCc5ccccc5[C@H]4C3)=[N+]1[B-]2(F)F ZINC000221699045 JG Annotated Anodyne CC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3nc4ccccc4[nH]3)c2)c2cnc(N)nc21 ZINC000221759506 JG Annotated Anodyne C[C@H](N[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(OC(F)F)nc3)n2)[C@@H](C#N)C1)C1CC1 ZINC000221832288 JG Annotated Mild C[C@](O)(c1ccc(Nc2nn([C@H]3CC[C@@H](N4CCC4)C[C@@H]3C#N)cc2C(N)=O)cc1)C(F)(F)F ZINC000221833250 JG Annotated Mild N#C[C@H]1C[C@@H](N2CC3(COC3)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221833905 JG Annotated Mild N#C[C@H]1C[C@H](N2CC3(COC3)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221834016 JG Annotated Mild C[C@@]1(O)CC[C@H](n2cc(C(N)=O)c(Nc3ccc([C@@](C)(O)C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000221834560 JG Annotated Mild C[C@]1(O)CC[C@H](n2cc(C(N)=O)c(Nc3ccc([C@@](C)(O)C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000221834612 JG Annotated Mild CC(C)(c1ccc(Nc2nn([C@H]3CC[C@H](O)C[C@@H]3C#N)cc2C(N)=O)cc1)[C@H](O)C(F)(F)F ZINC000221835128 JG Annotated Mild CC(C)(c1ccc(Nc2nn([C@H]3CC[C@H](O)C[C@@H]3C#N)cc2C(N)=O)cc1)[C@@H](O)C(F)(F)F ZINC000221835182 JG Annotated Mild C[C@H](N[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(OC(F)F)nc3)n2)[C@@H](C#N)C1)C1CC1 ZINC000221855151 JG Annotated Mild CC1(CNC(=O)[C@@H]2CC[C@@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@H](C#N)C2)COC1 ZINC000221864205 JG Annotated Mild C[C@]1(O)CC[C@H](n2cc(C(N)=O)c(Nc3ccc([C@](C)(O)C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000221864354 JG Annotated Mild C[C@](O)(c1ccc(Nc2nn([C@H]3CC[C@@](C)(O)C[C@@H]3C#N)cc2C(N)=O)cc1)C(F)(F)F ZINC000221864418 JG Annotated Mild CC(C)(O)C1CN(C(=O)[C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)C1 ZINC000221864888 JG Annotated Mild N#C[C@H]1C[C@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc([C@H](O)C(F)(F)F)cc2)n1 ZINC000221865093 JG Annotated Mild N#C[C@@H]1C[C@H](C(=O)N2CC(F)(F)C2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221870945 JG Annotated Mild N#C[C@H]1C[C@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc([C@@H](O)C(F)(F)F)cc2)n1 ZINC000221886562 JG Annotated Mild O=C(NC1CC1)c1ccc(-c2cnn3c(NCCN4CCOCC4)nc(Oc4ccccc4)nc23)cc1 ZINC000221944129 JG Annotated Anodyne CCc1ccc2occ(/C=N/Nc3nc4c(c(N5CCOCC5)n3)CSCC4)c(=O)c2c1 ZINC000222044116 JG Annotated Mild O=c1c(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)coc2ccc(Cl)cc12 ZINC000222047542 JG Annotated Anodyne Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)NCc5nccn5C)cc4c3)n2)c1 ZINC000222323553 JG Annotated Anodyne CN(C)CCN(C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1 ZINC000222324597 JG Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N(C)Cc3ccn(C)n3)[nH]c12 ZINC000222325831 JG Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N(C)Cc3ccnn3C)[nH]c12 ZINC000222325950 JG Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N(C)Cc3nccn3C)[nH]c12 ZINC000222326118 JG Annotated Anodyne Cc1nn(C)cc1CNC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1 ZINC000222326177 JG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CC[C@@H]4CN[C@@H]4C3)cc2)n1 ZINC000222614438 JG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CC[C@H]4CN[C@@H]4C3)cc2)n1 ZINC000222614500 JG Annotated Anodyne Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)NC5CCNCC5)cc4c3)n2)c1 ZINC000222679400 JG Annotated Anodyne C[C@@H](O)c1nc2cnc(Nc3ccnc(N4CC[C@H](O)[C@H](F)C4)n3)cc2n1[C@H](C)C(F)(F)F ZINC000222747858 JG Annotated Anodyne NS(=O)(=O)c1ccc(Oc2ccc(NC(=O)N[C@H]3[C@@H]4COc5c(F)ccc(F)c5[C@@H]43)nc2)cc1 ZINC000222786858 JG Annotated Anodyne CN1CCC(NC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1 ZINC000222851886 JG Annotated Anodyne C/C=C(\C)C(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2OC(=O)/C(C)=C/C)OC1=O ZINC000222910835 JG Annotated Anodyne COC1CN([C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(C(F)(F)F)cc4)n3)[C@@H](C#N)C2)C1 ZINC000222974649 JG Annotated Mild CC(C)N[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000222976925 JG Annotated Mild CC(C)N[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000222976989 JG Annotated Mild CC1(O)CN([C@@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(C(F)(F)F)cc4)n3)[C@@H](C#N)C2)C1 ZINC000222978280 JG Annotated Mild CC1(O)CN([C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(C(F)(F)F)cc4)n3)[C@@H](C#N)C2)C1 ZINC000222979528 JG Annotated Mild CC(C)(O)C1CN([C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)C1 ZINC000222980702 JG Annotated Mild CC(C)(O)C1CN([C@H]2CC[C@@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)C1 ZINC000222980769 JG Annotated Mild CC(C)(O)C1CN([C@@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)C1 ZINC000222980839 JG Annotated Mild CC(C)(O)C1CN([C@@H]2CC[C@@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)C1 ZINC000222980893 JG Annotated Mild CC1(CNC(=O)[C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)COC1 ZINC000222983021 JG Annotated Mild O=C1CN(CCOCC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CCN1 ZINC000223006088 JG Annotated Anodyne COc1ccccc1-c1csc2nc(N3[C@H]4CC[C@H]3CC(O)C4)nc(N3CC[C@H](C(N)=O)C3)c12 ZINC000223006384 JG Annotated Anodyne NC(=O)[C@H]1CCCN1CCOCC1[C@H]2CN(c3ncnc4scc(-c5ccc(F)cc5)c34)C[C@H]12 ZINC000223006787 JG Annotated Anodyne COc1ccccc1-c1csc2nc(N3[C@H]4CC[C@H]3CC(CO)C4)nc(N3CCNC(=O)C3)c12 ZINC000223007622 JG Annotated Anodyne NC(=O)[C@@H]1CCCN1CCOCC1[C@H]2CN(c3ncnc4scc(-c5ccccc5)c34)C[C@H]12 ZINC000223009034 JG Annotated Anodyne NC(=O)[C@H]1CCCN1CCOCC1[C@H]2CN(c3ncnc4scc(-c5ccccc5)c34)C[C@H]12 ZINC000223009120 JG Annotated Anodyne NC(=O)[C@H]1CCN(CCO[C@H]2C[C@H]3C[C@H]2CN3c2ncnc3scc(-c4ccccc4)c23)C1 ZINC000223010224 JG Annotated Anodyne NC(=O)[C@H]1CCCN1CCO[C@H]1C[C@H]2C[C@H]1CN2c1ncnc2scc(-c3ccccc3)c12 ZINC000223010868 JG Annotated Anodyne NC(=O)[C@@H]1CCCN1CCOCC1[C@H]2CN(c3ncnc4scc(-c5ccc(F)cc5)c34)C[C@H]12 ZINC000223011274 JG Annotated Anodyne O=C(NCc1ccc(S(=O)(=O)C2CCN(C3CCOCC3)CC2)cc1)c1cc2ccncc2o1 ZINC000223599173 JG Annotated Anodyne CN1CCN(c2ccc(Nc3cc(-c4nc(N[C@@H]5CCNC5)c5sccc5n4)ccn3)nc2)CC1 ZINC000223684529 JG Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc23)cc1)N1CCC(O)(CCC(F)F)CC1 ZINC000224373552 JG Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN(C4CC4)CC3)cc2F)cn1 ZINC000224690799 JG Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H](CO)Cc3ccccc3)cc2F)cn1 ZINC000224699550 JG Annotated Anodyne O=C1NCC[C@@H]1NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1 ZINC000224701374 JG Annotated Anodyne CC1=CC(=O)[C@@]2(O1)c1c(cc(/C=C\c3ccc(O)c(O)c3)oc1=O)O[C@@H]2c1ccc(O)c(O)c1 ZINC000224728004 JG Annotated Mild Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3CCCC[C@@H]3CO)cc2F)cn1 ZINC000224733430 JG Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3c4ccccc4C[C@@H]3O)cc2F)cn1 ZINC000224761154 JG Annotated Anodyne Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3C(=O)N3CCS(=O)(=O)CC3)cc2F)cn1 ZINC000224767152 JG Annotated Anodyne COc1cc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)nc(OC)n1 ZINC000224769265 JG Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(NS(C)(=O)=O)cn2)c(F)c1 ZINC000224775439 JG Annotated Anodyne NC1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc4c(c3)OCCN4)c(F)c2)CC1 ZINC000224775791 JG Annotated Anodyne CN(C)C1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1 ZINC000224826236 JG Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)CN1CCN(CC/N=C/C2=C(O)CC(C)(C)CC2=O)CC1 ZINC000022789964 JG Annotated Mild C1=N\CCNCCNCC/N=C\c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 ZINC000022859977 JG Annotated Anodyne Cn1ccc2ccc3c4[nH]c5c(CCN6CCNCC6)cccc5c4c4c(c3c21)C(=O)NC4=O ZINC000022930557 JG Annotated Bother O=C1[C@@H]2[C@H](C(=O)N1CCN1CCN(C(c3ccccc3)c3ccccc3)CC1)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 ZINC000022933084 JG Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)N1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@@H]1C[C@H]31 ZINC000022933086 JG Annotated Anodyne COc1cc([C@@H]2c3[nH]c4ccccc4c3[C@@H](NCCN(C)C)[C@H]3COC(=O)N32)cc(OC)c1O ZINC000022934319 JG Annotated Anodyne O[C@@H](CSc1ncnc2nc[nH]c12)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022935756 JG Annotated Anodyne O[C@@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21 ZINC000022937573 JG Annotated Anodyne O[C@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21 ZINC000022937576 JG Annotated Anodyne O[C@@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc(-n2cccc2)c2ncnc1-2 ZINC000022937614 JG Annotated Anodyne COc1cc(/N=C(\O)C2=C(C)OCCS2)c(Cl)cc1/C(O)=N/CCN1CCN(C)CC1 ZINC000022938957 JG Annotated Mild COc1ccc(Cc2c(N)nc(SCCN3CCN(Cc4ccc(C)cc4)CC3)nc2N)cc1 ZINC000022941200 JG Annotated Anodyne COc1ccc(Cc2c(N)nc(SCCN3CCN(Cc4ccccc4C)CC3)nc2N)cc1 ZINC000022941203 JG Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(OC[C@H]3CN(Cc4ccccc4)CCO3)nccc2c1 ZINC000225037634 JG Annotated Anodyne Cc1nn(-c2ccccc2)nc1COc1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225049843 JG Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(OCc3ccc(N4CCOCC4)cc3)nccc2c1 ZINC000225055396 JG Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(OCC(F)(F)C3CCOCC3)nccc2c1 ZINC000225072522 JG Annotated Anodyne NC(=O)COc1cc(F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225122970 JG Annotated Anodyne O=Cc1cn(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ncccc12 ZINC000225337415 JG Annotated Anodyne Cc1nccc(-c2ccc(F)c(C(=O)N(C)C3CCN([C@@H](C)O)CC3)c2)c1C#Cc1ccc(N)nc1 ZINC000225353803 JG Annotated Mild Cc1nccc(-c2ccc(F)c(C(=O)N(C)C3CCN([C@H](C)O)CC3)c2)c1C#Cc1ccc(N)nc1 ZINC000225353834 JG Annotated Mild CCc1nccc(-c2ccc(C(=O)N3C[C@@H]4C[C@H]3CN4C)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000225353924 JG Annotated Mild OC[C@@H](O)CN1CCC(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1 ZINC000226045257 JG Annotated Anodyne OC[C@H](O)CN1CCC(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1 ZINC000226045268 JG Annotated Anodyne Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2cccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1 ZINC000226056012 JG Annotated Anodyne O=C(c1cccc(F)c1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](COc1nccc(C(F)(F)F)n1)C2 ZINC000226059992 JG Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)N4CC(O)C4)C(C)(C)C3)cc12 ZINC000226060525 JG Annotated Anodyne COc1ccc(F)cc1-c1c(C#N)cnc2[nH]c(C3=CCN(CC(=O)N4CCC[C@H]4CO)CC3)cc12 ZINC000226062106 JG Annotated Mild Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccc(C(F)(F)F)cn2)C3)n1 ZINC000226062860 JG Annotated Anodyne COc1ccc(F)cc1-c1c(C#N)cnc2[nH]c(C3CCN(CC(=O)N4CCC[C@H]4CO)CC3)cc12 ZINC000226079226 JG Annotated Mild COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(C(=O)CN4CCOCC4)CC3)cc12 ZINC000226081374 JG Annotated Anodyne Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2cccc(C(F)(F)F)n2)C3)c(-n2ccnn2)n1 ZINC000226082668 JG Annotated Anodyne Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccc(Br)cn2)C3)n1 ZINC000226084636 JG Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(CC(=O)NC4CC(O)C4)CC3)cc12 ZINC000226089575 JG Annotated Anodyne O=C(CO)N1CCC(c2cc3c(-c4cncc(NCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000226092710 JG Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=C[C@@H]4CN(CC(=O)N5CC(O)C5)C[C@@H]4C3)cc12 ZINC000226115846 JG Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=C[C@H]4CN(CC(=O)N5CC(O)C5)C[C@@H]4C3)cc12 ZINC000226115857 JG Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(CCC(C)C)C(=O)[C@H]24)c1 ZINC000226636962 JG Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C(C)C)C(=O)[C@H]24)cc1 ZINC000226654528 JG Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1Cl ZINC000226659229 JG Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N([C@@H](C)CC)C(=O)[C@H]24)cc1 ZINC000227321576 JG Annotated Anodyne COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000023128884 JG Annotated Anodyne CN1CCN(C/C=C\c2ccccc2S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3)CC1 ZINC000023359414 JG Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@@H](OC(=O)/C=C/[S@@](C)=O)[C@@H](C)[C@]21C ZINC000230054494 JG Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@@H](OC(=O)/C=C/[S@@](C)=O)[C@@H](C)[C@]21C ZINC000230054498 JG Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CC[C@@H](OC(=O)/C=C/[S@@](C)=O)[C@@H](C)[C@]21C ZINC000230054504 JG Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CC[C@@H](OC(=O)/C=C/[S@@](C)=O)[C@@H](C)[C@]21C ZINC000230054512 JG Annotated Anodyne in-man endogenous COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@@H](C=C(C)C)N1C(=O)[C@H]2CCCN2C(=O)[C@]1(O)[C@H]3O ZINC000230067058 JG Annotated Anodyne in-man COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@@H](C=C(C)C)N1C(=O)[C@H]2CCCN2C(=O)[C@@]1(O)[C@H]3O ZINC000230067069 JG Annotated Anodyne in-man CC1=C(C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]23[C@H](O)/C=C\[C@](C)(O)C[C@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000230082209 JG Annotated Anodyne in-man CC1=C(C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]23[C@H](O)/C=C\[C@](C)(O)C[C@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000230082215 JG Annotated Anodyne in-man CC1=C(C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]23[C@H](O)/C=C/[C@](C)(O)C[C@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000230082223 JG Annotated Anodyne in-man CC1=C(C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]23[C@H](O)/C=C/[C@](C)(O)C[C@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000230082226 JG Annotated Anodyne in-man CC(C)(O)[C@H]1O[C@@]2(O)CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000230102192 JG Annotated Mild in-man CC(C)(O)[C@H]1O[C@]2(O)CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000230102198 JG Annotated Mild in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@@H](OC(=O)/C=C/[S@@](C)=O)[C@@H](C)[C@@]21C ZINC000230104662 JG Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@@H](OC(=O)/C=C/[S@@](C)=O)[C@@H](C)[C@@]21C ZINC000230104666 JG Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CC[C@@H](OC(=O)/C=C/[S@@](C)=O)[C@@H](C)[C@@]21C ZINC000230104672 JG Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CC[C@@H](OC(=O)/C=C/[S@@](C)=O)[C@@H](C)[C@@]21C ZINC000230104678 JG Annotated Anodyne in-man CN1CCC(N(C)c2nccc(N3CCN(C(=O)c4cccc(-c5cccnc5)c4)CC3)n2)CC1 ZINC000230561177 JG Annotated Anodyne Cc1cc(N2CCc3ccccc3C2)nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 ZINC000230561307 JG Annotated Anodyne COc1cnc2ccc(=O)n(CCN3CCC(NC/C=C/c4cc(F)ccc4F)CC3)c2c1 ZINC000230561788 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Cn2nc(C(=O)Nc3ccncn3)c3ccccc32)cc1 ZINC000230561863 JG Annotated Anodyne O=C(NCCc1ccccn1)[C@@H](c1cn[nH]c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000230565337 JG Annotated Anodyne O=C(NCCc1ccccn1)[C@H](c1cn[nH]c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000230565352 JG Annotated Anodyne COc1cc(F)c2ncc(F)c(CCN3CC[C@H](NCc4cc5c(cn4)OCS5)[C@@H](O)C3)c2c1 ZINC000230566749 JG Annotated Anodyne Cn1cc(CN2CCN(c3ccc4c(c3)CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC4)CC2)cn1 ZINC000230567049 JG Annotated Anodyne O=C(NC1CCN([C@@H]2Cc3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc3C2)CC1)C1CC1 ZINC000230567497 JG Annotated Anodyne O=C(NC1CCN([C@H]2Cc3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc3C2)CC1)C1CC1 ZINC000230567519 JG Annotated Anodyne O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]1C/C=C/CCOc2ccccc2-n2cnc1n2 ZINC000230574655 JG Annotated Anodyne CCOC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@H]1c1cc2ccccc2n2nnnc12 ZINC000231389896 JG Annotated Mild CCOC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@H]1c1cc2ccccc2n2nnnc12 ZINC000231389926 JG Annotated Mild CC[C@@H]1O[C@@H]2Oc3c(C)c(O)c(C)c4c3[C@@H](C[C@H](c3ccc(OC)cc3)O4)O[C@@H]2[C@@H](O)[C@@H]1O ZINC000232407994 JG Annotated Anodyne CC[C@H]1O[C@@H]2Oc3c(C)c(O)c(C)c4c3[C@@H](C[C@H](c3ccc(OC)cc3)O4)O[C@@H]2[C@@H](O)[C@@H]1O ZINC000232408008 JG Annotated Anodyne CC[C@@H]1O[C@H]2Oc3c(C)c(O)c(C)c4c3[C@@H](C[C@H](c3ccc(OC)cc3)O4)O[C@@H]2[C@@H](O)[C@@H]1O ZINC000232408010 JG Annotated Anodyne CC[C@H]1O[C@H]2Oc3c(C)c(O)c(C)c4c3[C@@H](C[C@H](c3ccc(OC)cc3)O4)O[C@@H]2[C@@H](O)[C@@H]1O ZINC000232408014 JG Annotated Anodyne Cc1cc(OCC(=O)N(Cc2ccco2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)ccc1Cl ZINC000023956329 JG Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5[C@@H](O)CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000238730632 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@H]3[C@]4(O)CC=C5CC=CC(=O)[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)C1 ZINC000238730737 JG Annotated Mild CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@H]3[C@@H](C)CN4C[C@@H]1CCC1=C5[C@@H](CC1)[C@@H](C(=O)O)C[C@]52[C@@H]34 ZINC000238730782 JG Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000238730796 JG Annotated Mild COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)C3=O ZINC000238730909 JG Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@]2(C)O[C@@H]2[C@H](OC(=O)/C(C)=C\C)[C@@]2(C)[C@@H](O)C[C@](O)(C(C)C)[C@@H]12 ZINC000238731121 JG Annotated Anodyne C=C1[C@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23C(=O)C[C@H](O)[C@@H](C)C[C@H](C)C/C=C/[C@@H]3[C@H]1O ZINC000238731527 JG Annotated Mild CC1=CC(C)(C)[C@@H]2O[C@@]3(O)CC[C@@]4(C)[C@H](c5ccco5)O[C@]5(C(C)C)C[C@H]4[C@]34O[C@@]1(O)[C@@]2(O)[C@H]4O5 ZINC000238731848 JG Annotated Anodyne CC(=O)[C@@H]1[C@@H](O)C[C@@H]2[C@@](C)([C@H]1C(=O)O)[C@H](O)C[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)CCC[C@@]21CO ZINC000238732283 JG Annotated Anodyne CO[C@@H]1CCN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]12C(=O)N4C ZINC000238732397 JG Annotated Anodyne COC(=O)/C1=C\[C@H](OC(C)=O)C[C@]2(C)O[C@H]2/C=C(/C(C)C)C[C@@H](OC(C)=O)/C(C(=O)OC)=C/CC1 ZINC000238732674 JG Annotated Anodyne CCC[C@@H]1O[C@]12[C@H](O)C[C@H]([C@@H](CCC)C(=O)c1cc(CC(C)C)c(O)c(C=O)c1O)O[C@H]2O ZINC000238732832 JG Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@](C)(O)[C@H](O)[C@H](OC(=O)/C(C)=C\C)[C@]2(C)CC[C@](O)(C(C)C)[C@@H]12 ZINC000238732883 JG Annotated Anodyne CN1CCCN2CCCCN(CCCN(C)[C@H](Cc3ccccc3)C2=O)C(=O)[C@@H]1Cc1ccccc1 ZINC000238733341 JG Annotated Anodyne CC1(C)OC(=O)C=C2O[C@]3(C[C@H]21)[C@@]1(C)C(=O)O[C@@]2(C)O[C@@]34C(=O)O[C@@H](c3ccoc3)[C@]4(C)CC[C@@H]12 ZINC000238733384 JG Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](O)[C@@H]2[C@](C)(C=O)C=CC(=O)[C@]12C ZINC000238733550 JG Annotated Mild C[C@@H]([C@@H]1CCc2c1ccc1c2[C@]2(C)O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000238733722 JG Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000238733839 JG Annotated Mild COc1ccc2cc1Oc1cc(cc(OC)c1O)/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/2 ZINC000238734184 JG Annotated Anodyne COc1cc(C(=O)O[C@H]2C[C@@]3(C)O[C@H]3C[C@@]3(C)[C@@H](OC(C)=O)C[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000238734201 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]23O[C@@H]2C[C@@H]2[C@]3(C)C[C@H](O)[C@@H]3[C@@]4(C)C(=O)C=CCC4=CC[C@]32O)C1 ZINC000238734211 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@]2(C)OC(=O)[C@]34CC[C@H]5[C@@H](C[C@@H]6O[C@@]67CC=CC(=O)[C@]57C)[C@]3(O)CC[C@@H]42)C1 ZINC000238734288 JG Annotated Mild C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000238734784 JG Annotated Mild C=C(C(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1)[C@@H](C)O ZINC000238735002 JG Annotated Mild CC(=O)OC[C@]1(C[C@H](OC(C)=O)c2ccoc2)[C@H](C)C[C@H](O)[C@]2(COC(C)=O)[C@@H]1CCC[C@]21CO1 ZINC000238735013 JG Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C[C@@H](C)[C@H](O)CC(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000238735102 JG Annotated Mild C=C1[C@@H](O)[C@H]2/C=C\C[C@H](C)CCC[C@@H](O)/C=C/C(=O)O[C@@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]3[C@H]1C ZINC000238735118 JG Annotated Mild CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\C(=O)OC/C(C)=C/CC(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1 ZINC000238735441 JG Annotated Anodyne COC(=O)CC(=O)[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)/C=C(/OC)C(=O)OC)[C@@H]1c1ccccc1 ZINC000238735797 JG Annotated Mild CC(=O)O[C@@H]1c2c3c(cc(O)c2C(=O)O[C@@H]1C)O[C@@]1(C)[C@@H](O)C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]1C3 ZINC000238735863 JG Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)O[C@@H]2[C@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H](O)C[C@@](O)(C(C)C)[C@H]12 ZINC000238736041 JG Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@H](C)[C@@H](C[C@@H](OC(C)=O)[C@@]52COC(C)=O)[C@H]63)CC[C@@H]41 ZINC000238736373 JG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@@]2(C)O[C@H]2[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H]1[C@](O)(C(C)C)C[C@H]2O ZINC000238736431 JG Annotated Anodyne CC1(C)O[C@@H]2[C@@H](COP(=O)(c3ccccc3)c3ccccc3)O[C@]3(COC(C)(C)O3)[C@@H]2O1 ZINC000238736703 JG Annotated Reactive C#C[C@@H](Br)[C@H]1C[C@@H](O)[C@@H](C[C@H](OC(C)=O)[C@@H](Br)C/C=C/CC)O1 ZINC000238736838 JG Annotated Reactive C[C@H](Cl)[C@](C)(O)C(=O)O[C@@H]1c2cc3ccc(=O)oc3cc2OC(C)(C)[C@@H]1OC(=O)[C@@]1(C)O[C@@H]1C ZINC000238737071 JG Annotated Reactive CC[C@H](C)CC(=O)O[C@@H]1OC=C(COC(C)=O)C2=C[C@H](OC(=O)C[C@H](C)CC)[C@]3(CO3)[C@H]21 ZINC000238737226 JG Annotated Anodyne C/C=C/C=C/C(O)=C1/C(=O)[C@@]2(C)C(=O)[C@](C)(O)[C@@H]1[C@H]1[C@@](C)(O)C(O)=C(C)C(=O)[C@]12C(=O)CC/C=C/C ZINC000238737759 JG Annotated Mild CC[C@@H](C)C(=O)OC/C1=C\CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCCCC3)[C@@H]2[C@H](O)[C@@H]1OC(C)=O ZINC000238738637 JG Annotated Anodyne C/C(=C\[C@H](C)C(=O)/C=C/CC1CC(=O)NC(=O)C1)[C@H]1OC(=O)/C=C/CC/C=C/C[C@@H](O)[C@@H]1C ZINC000238738689 JG Annotated Mild CC(=O)OC/C=C(\CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H](O)[C@]2(C)OC(C)=O)COC(C)=O ZINC000238738783 JG Annotated Anodyne C[C@H]1CC(=O)N2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]12C(=O)N4C ZINC000238739014 JG Annotated Anodyne CC(=O)O[C@@H]1O[C@H]2OC(=O)C[C@]1(OC(C)=O)[C@@H]2[C@]1(C)CCC2=C([C@H]1C)[C@H](O)CCC2(C)C ZINC000238739358 JG Annotated Anodyne C=C([C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@@H]1C[C@@H]2O[C@]2(C)[C@H](O)[C@@H]1OC(=O)[C@H](C)CC ZINC000238739396 JG Annotated Mild CO[C@H]1C[C@@H](C)[C@@H]2C[C@@H]3OC(=O)C=C4[C@](C)([C@H]5OC(=O)C=C5C)C[C@H](OC)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000238739476 JG Annotated Anodyne CC(=O)OC[C@H](Br)[C@@]1(C)CC=C2[C@@H](C1)[C@H](O)C[C@@H]1[C@@]3(CO)C[C@H]3[C@H](OC(C)=O)C[C@@]21C ZINC000238739860 JG Annotated Reactive CC1(C)OC(=O)C[C@@H](O)[C@@]2(C)[C@@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@]2(C)[C@@H](c3ccco3)OC(=O)[C@@H]3O[C@@]321 ZINC000238740013 JG Annotated Anodyne CCCC[C@H](C(=O)c1cc([C@@H](OC)C(C)C)c(O)c(C=O)c1O)[C@H]1C[C@@H](O)[C@]2(O[C@H]2CC)[C@H](O)O1 ZINC000238740711 JG Annotated Anodyne COC(=O)/C=C\[C@]1(C)C(=C(C)C)C(=O)[C@H](O)[C@@H]2[C@H]1[C@@H]1C[C@@]3(C)[C@@H](c4ccoc4)OC(=O)[C@@H](O1)[C@@]23C ZINC000238741682 JG Annotated Mild C#C[C@@H]1O[C@H]2C[C@@H]1O[C@@H]2[C@@H](Br)[C@H]1O[C@@H](CC)[C@H](Br)C[C@@H]1Br ZINC000238741858 JG Annotated Reactive C=C1[C@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23OC(=O)/C=C/[C@](C)(O)C[C@H](C)C/C=C/[C@@H]3[C@H]1O ZINC000238742156 JG Annotated Mild COc1cc([C@@H]2O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H](OC)[C@H]2OC)cc(OC)c1O ZINC000238742804 JG Annotated Anodyne COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](C=C(C=O)[C@]23O)CC(C)(C)[C@@H]4O)c(C)c1Cl ZINC000238742838 JG Annotated Reactive CC[C@H]1O[C@]2(C)[C@@H](O)[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)O[C@@]1(C)[C@H]2OC(C)=O ZINC000238742874 JG Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O[C@@](C)(CCC=O)[C@@H]2CC=C(C)CC2)O[C@@H]1C ZINC000238743233 JG Annotated Mild CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@](O)([C@H](C)[C@H](C)O)[C@@H](C(=O)O)[C@H]3C2=CO1 ZINC000238743337 JG Annotated Mild CC(=O)O[C@H]1[C@H](C(C)(C)OC(C)=O)[C@@H]2[C@@H]([C@@H]3C/C(C)=C/CC[C@@](C)(OC(C)=O)[C@H]2O3)[C@]2(C)O[C@H]12 ZINC000238744290 JG Annotated Anodyne CC1(C)OC(=O)C=C[C@]2(C)OO[C@@](O)(CC3=CCC[C@]45C[C@]34[C@H](O)O[C@H]5c3ccoc3)C[C@H]12 ZINC000238744321 JG Annotated Reactive COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](O)[C@@H]2C[C@@H]3[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@H]4c3ccoc3)[C@@]1(C)C2=O ZINC000238744332 JG Annotated Anodyne CCCC(=O)O[C@H]1CC/C(C)=C\[C@H]2OC(=O)[C@]3(C)O[C@]23[C@@H](O)[C@H]2[C@@H](C)[C@H](OC(C)=O)C=C[C@]12C ZINC000238744746 JG Annotated Anodyne C=C(C)C(=O)O[C@@H]1C2=C(C)[C@@H](OC(=O)C(C)C)C[C@H](OC(C)=O)[C@@]2(C)C[C@H]2OC(=O)C(=C)[C@@H]12 ZINC000238745100 JG Annotated Mild COc1ccc2c3c(n(C(C)=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O ZINC000238745247 JG Annotated Anodyne CCCC[C@@H](O)/C=C/C[C@]1(OC(C)=O)C=CC(=O)/C1=C/C=C/[C@@H](CCC(=O)OC)OC(C)=O ZINC000238745262 JG Annotated Mild C=C1C[C@@H](OC)C(=O)[C@]2(C)[C@H]3[C@@H](OC)C[C@@](C)([C@@H]4OC(=O)C=C4C)C4=CC(=O)O[C@@H](C[C@H]12)[C@@]43C ZINC000238745427 JG Annotated Mild COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](OC(C)=O)[C@@H]2[C@](C)(O)C=CC(=O)[C@]12C ZINC000238745704 JG Annotated Mild CC1(C)O[C@H]2CC(=O)O[C@]2(C)[C@H]1CC(=O)C[C@]12O[C@H]1CC[C@]13C[C@]12C(=O)O[C@H]3c1ccoc1 ZINC000238745901 JG Annotated Anodyne C/C(=C\[C@H](C)C(=O)/C=C/CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C/CC/C=C/C[C@@H](O)[C@@H]1C ZINC000238746192 JG Annotated Mild CC(=O)O[C@@H]1CC(=O)O[C@@H]2C[C@@H](CC/C(Cl)=C\C/C=C\1C)O[C@H]2[C@H](O)/C=C(\C)CC(=O)O ZINC000238747166 JG Annotated Anodyne CC(C)(O)[C@@H]1O[C@@H]2CC[C@]3(C)[C@](O)(CC[C@@H]4CC(=O)c5ccccc5NC(=O)[C@]43C)C2=CC1=O ZINC000238747531 JG Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@H](OC[C@@H]4OC(C)=O)[C@@]34O[C@H]4C[C@H]2C(C)(C)[C@@H]1OC(C)=O ZINC000238747737 JG Annotated Anodyne C/C1=C/C[C@H]2[C@@H](/C=C(\CO)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C ZINC000238747788 JG Annotated Mild CC(=O)OC/C1=C/C/C=C(/Cl)CC[C@H]2C[C@@H](OC(=O)CC1)[C@@H]([C@H](O)/C=C(\C)CC(=O)O)O2 ZINC000238747825 JG Annotated Anodyne COC(=O)[C@H]1[C@H](C(C)=O)[C@@H](O)C[C@@H]2[C@]1(C)[C@H](O)C[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)CCC[C@@]21CO ZINC000238747837 JG Annotated Anodyne CC1(C)OC(=O)C=C[C@]12C[C@H]([C@]1(C)C=CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@@]413)O[C@]2(C)O ZINC000238748366 JG Annotated Anodyne COc1cc2c(c(OC)c1O)-c1c(OC)cc(CCc3cccc(O)c3)cc1O[C@@H]2[C@H](O)CO ZINC000238748653 JG Annotated Anodyne CO[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@]23CCN(C)[C@@]24C[C@H](O[C@@]14OC)c1cc2c(cc13)OCO2 ZINC000238749257 JG Annotated Anodyne CCC[C@H](C(=O)c1cc(CC(C)C)c(O)c(C(C)=O)c1O)[C@H]1C[C@@H](O)[C@]2(O[C@H]2CC)[C@H](O)O1 ZINC000238749291 JG Annotated Anodyne CCCC[C@H](C(=O)c1cc(CC(C)C)c(O)c(C=O)c1O)[C@H]1C[C@@H](O)[C@]2(O[C@H]2CC)[C@H](O)O1 ZINC000238749808 JG Annotated Anodyne CC[C@@H]1CCC[C@@H](CC)C(=O)NCCC[C@@H](CC)[C@@H](O[C@H]2O[C@H](C)[C@@H](O)[C@@H](N)[C@H]2O)CC1 ZINC000238750965 JG Annotated Anodyne CO[C@H]1C[C@@](C)([C@@H]2OC(=O)C=C2C)C2=CC(=O)O[C@H]3C[C@@H]4[C@@H](C)C[C@@H](OC)C(=O)[C@]4(C)[C@H]1[C@]23C ZINC000238751062 JG Annotated Anodyne CCCC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C(=O)O[C@@H]4O[C@H](O)[C@@]21[C@@H]43 ZINC000238751565 JG Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](O)[C@@H](O)[C@H]3CCC[C@@H](C[C@H](O)CC2)N13 ZINC000238751572 JG Annotated Anodyne C=C1C[C@H](OC)C(=O)[C@@]2(C)[C@H]1C[C@@H]1OC(=O)C=C3[C@@]1(C)[C@@H]2[C@H](OC)C[C@@]3(C)[C@@H]1OC(=O)C=C1C ZINC000238751738 JG Annotated Mild C[C@@H](c1cccc2c1CC[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1 ZINC000238752004 JG Annotated Mild CC(C)CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238752019 JG Annotated Anodyne CS/C=C\C(=O)O[C@H]1C[C@](C)(OC(C)=O)C(=O)CC[C@]2(C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1C(C)C ZINC000238752911 JG Annotated Anodyne C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C/[C@@H]3[C@H]1O ZINC000238753021 JG Annotated Mild COc1cc(OC)c([C@@H]2Oc3c(c(OC)cc4c(=O)c5c(O)cccc5oc34)O[C@H]2CO)cc1O ZINC000238753139 JG Annotated Bother C/C=C/C=C/C(O)=C1\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@@H]1[C@](C)(O)C(=O)C(C)=C(O)[C@@]12C(=O)CC/C=C/C ZINC000238753340 JG Annotated Mild COc1ccc2cc1-c1cc(ccc1OC)[C@@H]1C[C@H](O)[C@@H](O)[C@H]3CCC[C@H](C[C@H](O)CC2)N13 ZINC000238753383 JG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2[C@H](OC(=O)C=C(C)C)[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C ZINC000238753510 JG Annotated Anodyne CC1=CCC[C@]2(C)CC[C@@H](C(C)(C)O[C@@H]3O[C@H](COC(=O)CC(C)C)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12 ZINC000238753665 JG Annotated Anodyne CCCC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@@H](C(=O)OC)[C@H]3C(=O)OC[C@]132 ZINC000238753788 JG Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@](C)(O)[C@@H]3[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]12 ZINC000238753994 JG Annotated Anodyne C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000238754408 JG Annotated Mild CC[C@H]1CCC[C@@H](CC)C(=O)NCCC[C@@H](CC)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](N)[C@H]2O)CC1 ZINC000238754759 JG Annotated Anodyne C=C1[C@H]2[C@H](OC(=O)/C(C)=C\C)C=C(C)C(=O)[C@@]2(OC)O[C@@H]1C[C@H](OC(=O)/C(C)=C\C)C(C)(C)O ZINC000238755030 JG Annotated Mild COC(=O)/C=C\[C@]1(C)C(=C(C)C)C(=O)[C@H](O)[C@H]2[C@@H]1C[C@@H]1O[C@H]3C(=O)O[C@@H](c4ccoc4)[C@]1(C)[C@@]23C ZINC000238755134 JG Annotated Mild CCCCC/C=C/C=C\C=C\[C@H](O)[C@H](C)[C@H](C/C=C/[C@H]1OC(=O)C=C[C@@H]1O)OS(=O)(=O)O ZINC000238755458 JG Annotated Anodyne CC1=CC(=O)[C@@H](OC(=O)c2ccoc2)[C@@]2(C)[C@H](OC(=O)c3ccoc3)C(=O)[C@@H]3C[C@]12OC3(C)C ZINC000238755548 JG Annotated Mild C=C[C@@]1(C)CC[C@@]2(O)[C@](O)(C1)[C@@H](O)[C@@H](O)[C@H]1C(C)(C)CCC[C@@]12COC(=O)c1ccccc1 ZINC000238755644 JG Annotated Mild CC[C@H]1CCC[C@@H](CC)C(=O)NCCC[C@@H](CC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC1 ZINC000238756623 JG Annotated Anodyne C=C1[C@]2(C)C[C@H]3[C@]4(C)CCC(=O)OC(C)(C)C4=CC[C@]3(C)[C@]1(C(=O)OC)C(=O)[C@@](C)(O)C2=O ZINC000238756684 JG Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000238756751 JG Annotated Anodyne COc1cc([C@@H](C(C)=O)[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000238757188 JG Annotated Anodyne C[C@@H](c1ccc2c(c1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000238757285 JG Annotated Mild CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)[C@H](Cl)[C@H](O)c1ccccc1 ZINC000238757287 JG Annotated Reactive COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@@](C)(O)[C@@H]3[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]12 ZINC000238757299 JG Annotated Anodyne C=C1[C@@H]2[C@H]([C@H](C(C)C)C[C@H]1OC(C)=O)[C@@H]1O[C@H]2[C@@H](O)[C@@](C)(O)[C@H](OC)CC[C@]1(C)OC(=O)CCC ZINC000238757483 JG Annotated Mild C=CC[C@]12C=C(OC)C(=O)[C@](OC)([C@H]1OC(C)=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C ZINC000238757612 JG Annotated Mild CC(=O)OC[C@@]12C(=O)C(O)=C(C)[C@]3(C[C@@H](c4ccoc4)O[C@H]3OC(C)=O)[C@H]1CCC[C@]21CO1 ZINC000238757971 JG Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@]2(C)O[C@@H]2[C@H](OC(=O)/C(C)=C/C)[C@]2(C)[C@@H](O)C[C@@](O)(C(C)C)[C@H]12 ZINC000238757998 JG Annotated Anodyne CC(=O)O[C@@H](C)[C@@](C)(OC(C)=O)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(=C(C)C)C[C@H]2[C@]1(C)O ZINC000238758048 JG Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C[C@](C)(O)[C@H](OC)CC(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@H]1C ZINC000238758398 JG Annotated Mild COC(=O)[C@H](CC=O)[C@@]1(C)C[C@@]2(C)c3[nH]c4cc(OC)ccc4c3CCN2C[C@]1(C)[C@H](C)O ZINC000238758647 JG Annotated Mild COC(=O)[C@H]1C[C@]23C4=C(CC[C@H]41)CC[C@H]1CN4C[C@H](C)[C@H](C[C@H](OC(C)=O)[C@]12COC(C)=O)[C@@]43C#N ZINC000238758760 JG Annotated Mild COC(=O)/C=C\[C@@]1(C)C(=C(C)C)C(=O)[C@@H](O)[C@@H]2[C@H]1C=C[C@@]1(C)[C@@H](c3ccoc3)OC(=O)[C@@H](O)[C@]21C ZINC000238759023 JG Annotated Mild C/C=C(/C)C(=O)O[C@H]1[C@H]2O[C@@]2(C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]2[C@@]1(C)[C@@H](O)C[C@@]2(O)C(C)C ZINC000238759687 JG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)O[C@@H]2[C@H](OC(=O)/C(C)=C/C)[C@]2(C)[C@@H](O)C[C@@](O)(C(C)C)[C@H]12 ZINC000238759706 JG Annotated Anodyne COc1c(O)cc(C[C@H](O)C(C)(C)O)c2c(=O)c3c(O)cc4c(c3oc12)C(C)(C)C(C)(C)O4 ZINC000238760052 JG Annotated Bother C=C1[C@@H](O)[C@H]2/C=C/C[C@@H](C)CCC[C@@H](O)/C=C/C(=O)O[C@@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@@H]1C ZINC000238760703 JG Annotated Mild C=C([C@@H](C[C@@H](O)C(C)(C)OC)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)C(=O)[C@@H]1OC(=O)/C(C)=C\C ZINC000238760756 JG Annotated Mild C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@H]1OC(=O)/C=C/CC/C=C/C=C\[C@@H]1C ZINC000238760863 JG Annotated Anodyne COC(=O)[C@H]1C[C@]23C4=C(CC[C@H]41)CC[C@H]1CN4C[C@H](C)[C@H](C[C@H](OC(C)=O)[C@]12COC(C)=O)[C@@H]43 ZINC000238761247 JG Annotated Anodyne CC1(C)O[C@@H]2CC(=O)O[C@]2(C)[C@H]1CC(=O)C[C@@H]1C(=O)CC[C@]23C[C@]12C(=O)O[C@H]3c1ccoc1 ZINC000238761291 JG Annotated Anodyne C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)CC=C(C)[C@H]23)[C@](C)(O)[C@@H](OC(=O)[C@H](O)CC)C[C@@H]1OC(C)=O ZINC000238761357 JG Annotated Mild O=C1C=CC(=C2C(=O)c3cc(O)cc4c3[C@@](c3ccc(O)cc3)(C(=O)O4)c3cc(O)cc(O)c32)C=C1 ZINC000238762223 JG Annotated Mild O=C(O)/C=C/C=C/C1=C(c2ccccc2C(=O)O)C(=O)C(O)=C(c2ccccc2C(=O)O)C1=O ZINC000238762336 JG Annotated Mild C=C1[C@@H](O)[C@H]2/C=C\C[C@@H](C)CCC[C@@H](O)/C=C\C(=O)O[C@@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@@H]1C ZINC000238763291 JG Annotated Mild C=C1[C@@H](O)[C@H]2/C=C\C[C@@H](C)CCC[C@@H](O)/C=C/C(=O)O[C@@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@@H]1C ZINC000238763306 JG Annotated Mild C=C1[C@@H](O)[C@H]2/C=C/C[C@@H](C)CCC[C@@H](O)/C=C\C(=O)O[C@@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@@H]1C ZINC000238763322 JG Annotated Mild COc1cc2ccc1/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/c1ccc(O)c(c1)O2 ZINC000238763619 JG Annotated Anodyne CO[C@@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)/C(C)=C\[C@H](C)[C@H]1O ZINC000238763695 JG Annotated Anodyne C=C(C)C1=Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)[C@]23O[C@]12C(=O)C(OC)=CC3=O ZINC000238764315 JG Annotated Mild C=C(C(=O)OCC)[C@H]1CC[C@](C)(O)[C@@H]2CC[C@](C)(O2)[C@H](OC(C)=O)CC[C@@](C)(O)[C@H](OC)C1 ZINC000238764471 JG Annotated Mild CC(=O)O[C@H]1CC[C@](C)([C@@H]2C[C@H]3C=CO[C@H]3O2)[C@H]2C[C@@H]3C[C@]4(CO4)[C@]12[C@@H](OC(=O)C(C)C)O3 ZINC000238764911 JG Annotated Anodyne CC1(C)C=Cc2c3c(cc(Cl)c2O1)[C@]1(C[C@@]24NC(=O)[C@]5(CCCN5C2=O)C[C@H]4C1(C)C)C(=O)N3 ZINC000238765735 JG Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](O)[C@@H](O)[C@@H]3CCC[C@H](C[C@H](O)CC2)N31 ZINC000238765837 JG Annotated Anodyne Cc1cc2c(c(C)c1[C@@H](O)CO)C(=O)[C@]1(C)[C@H]2[C@H]2c3cc(C)c([C@@H](O)CO)c(C)c3C(=O)[C@]21C ZINC000238766150 JG Annotated Anodyne COc1cc(O)cc([C@H]2O[C@@H](c3ccc(OC)c(O)c3)[C@H](COC(C)=O)[C@H]2COC(C)=O)c1 ZINC000238766836 JG Annotated Anodyne CC[C@H](C)/C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@](O)([C@H](C)[C@H](C)O)[C@@H](C(=O)O)[C@H]3C2=CO1 ZINC000238766930 JG Annotated Mild COc1cc(O)c2c(c1-c1c(O)cc(O)c(C(C)=O)c1OC)C(=O)c1cccc(O)c1C2=O ZINC000238767241 JG Annotated Clean CC[C@@H]1CCC[C@@H](CC)C(=O)NCCC[C@@H](CC)[C@@H](O[C@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC1 ZINC000238767524 JG Annotated Anodyne CO[C@]1(C[C@]23O[C@H]2CC[C@@]24C[C@@]32[C@H](O)O[C@H]4c2ccoc2)C[C@@H]([C@@]2(C)C=CC(=O)O2)C(C)(C)O1 ZINC000238767636 JG Annotated Anodyne C=C1CC[C@@H]2[C@](C)(C[C@@H](Cl)[C@H](Cl)[C@@]2(C)COC(C)=O)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O ZINC000238767850 JG Annotated Reactive C=C[C@@](C)(CC[C@H]1C(=C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O ZINC000238767867 JG Annotated Mild Cc1c([C@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)ccc2c1C[C@@]1(C)[C@H]2CC(=O)[C@H]2C[C@@H](O)[C@H](O)C[C@@]21C ZINC000238768125 JG Annotated Anodyne CC[C@@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)O[C@@](O)([C@H](C)[C@H](C)O)[C@H](C(=O)O)[C@@H]3C2=CO1 ZINC000238768662 JG Annotated Mild CO[C@@]1(C[C@]23O[C@H]2CC[C@]24C[C@@]23[C@H](O)O[C@H]4c2ccoc2)C[C@H]([C@]2(C)C=CC(=O)O2)C(C)(C)O1 ZINC000238768743 JG Annotated Anodyne COc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@](C)(CC[C@]4(O)C(C)(C)OC(=O)CC[C@]42C)O3)cc1 ZINC000238768807 JG Annotated Anodyne COc1cc(CC[C@@]2(OC(C)=O)c3cc(OC(C)=O)c(OC)cc3CCN2C)ccc1OC(C)=O ZINC000238769803 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5OC(=O)CC=CC5=C(C)[C@H]4CC[C@]23C)C1 ZINC000238769846 JG Annotated Anodyne C=CC[C@@]12C=C(OC)C(=O)[C@@](OC)([C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]1C)[C@@H]2OC(C)=O ZINC000238770191 JG Annotated Mild CC(=O)OC[C@@]12C(=O)C(O)=C(C)[C@]3(C[C@@H](c4ccoc4)O[C@H]3OC(C)=O)[C@H]1CCC[C@]2(O)CCl ZINC000238770247 JG Annotated Reactive C/C=C1/CN2[C@@H](C(=O)O)Cc3c([nH]c4ccccc34)[C@]2(C)C[C@]1(C)[C@@H](COC(C)=O)C(=O)OC ZINC000238770751 JG Annotated Anodyne CC(=O)OC[C@]12C[C@H]1[C@H](OC(C)=O)C[C@@]1(C)C3=CC[C@](C)([C@@H](Br)CO)C[C@H]3[C@H](O)C[C@H]21 ZINC000238770809 JG Annotated Reactive CC(=O)O[C@H]1[C@H](C(C)(C)OC(C)=O)[C@H]2[C@@H]([C@H]3C/C(C)=C/CC[C@@](C)(OC(C)=O)[C@@H]2O3)[C@]2(C)O[C@H]12 ZINC000238770817 JG Annotated Anodyne CC(=O)O[C@H]1[C@H](C(C)(C)OC(C)=O)[C@H]2[C@@H]([C@H]3C/C(C)=C\CC[C@@](C)(OC(C)=O)[C@@H]2O3)[C@]2(C)O[C@H]12 ZINC000238770831 JG Annotated Anodyne CC(=O)OC[C@@]12[C@@H](OC(=O)C(C)C)C[C@]3(C)O[C@]4(CC[C@]3(C)[C@H]1CCC[C@]21CO1)COC(=O)C4 ZINC000238770945 JG Annotated Anodyne C/C=C/C=C/C(O)=C1\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@H]1[C@](C)(O)C(=O)C(C)=C(O)[C@]12C(=O)CC/C=C/C ZINC000238770987 JG Annotated Mild CC[C@H](C)C[C@H](C)CC[C@@H]1CCC[C@H](c2c(O)c([C@@H]3C[C@@H](O)[C@H](O)[C@H]3O)cn(C)c2=O)O1 ZINC000238771002 JG Annotated Anodyne COC(=O)C[C@@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@@H]3O[C@@H]2[C@H](OC(C)=O)[C@@H]2[C@](C)(O)C=CC(=O)[C@@]21C ZINC000238771299 JG Annotated Mild C=C([C@H](O)C[C@@H](OC(=O)/C(C)=C\C)C(C)(C)O)[C@@H]1C[C@@H]2O[C@]2(C)[C@H](OC(=O)/C(C)=C\C)C1 ZINC000238771315 JG Annotated Mild CC[C@@H](C)/C(O)=C/C(=O)[C@@]1(C(=O)[C@]2(C)C[C@@H](C(C)(C)O)OC2=O)C[C@@H]2[C@H](CC[C@]2(C)O)[C@@](C)(O)C1 ZINC000238771445 JG Annotated Mild CC(=O)O[C@@H]1C[C@@H]2[C@@]3(CO)C[C@H]3[C@H](OC(C)=O)C[C@@]2(C)C2=CC[C@](C)([C@@H](Br)CO)C[C@H]21 ZINC000238771636 JG Annotated Reactive C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCCCC/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000238771780 JG Annotated Anodyne CO[C@H]1/C=C/CC/C=C/C(=O)O[C@@H](/C(C)=C/[C@H](C)C(=O)C[C@H](O)CC2CC(=O)NC(=O)C2)[C@@H](C)C1 ZINC000238772446 JG Annotated Anodyne C=C1C[C@H](OC)C(=O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C=C3[C@](C)([C@@H]4OC(=O)C=C4C)C[C@@H](OC)[C@H]2[C@]31C ZINC000238772927 JG Annotated Mild CO[C@H]1C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C=C4[C@](C)([C@@H]5OC(=O)C=C5C)C[C@@H](OC)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000238773808 JG Annotated Anodyne CO[C@H]1CC(=O)[C@]23C(=O)N[C@H](Cc4ccccc4)[C@H]2[C@@H](C)C(CO)=C[C@H]3/C=C/C[C@@H](C)C[C@@]1(C)O ZINC000238774352 JG Annotated Anodyne CC/C(C)=C/C(=O)O[C@H]1[C@@H](C)C[C@H]2O[C@]1(O)[C@H](O)[C@@]1(C)CC[C@H](O1)C(C)(C)/C=C/[C@@H](C)C2=O ZINC000238774890 JG Annotated Anodyne C/C=C(/C)C(=O)OC[C@H]1O[C@@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CCC=C(C)[C@@H]3C2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238775035 JG Annotated Anodyne COC1=C(C(C)C)[C@H]2C/C=C(/C)[C@@H](OC(C)=O)[C@@]3(O)CC(=O)O/C3=C(\C)CC[C@]2(C)OC1=O ZINC000238775293 JG Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C[C@](C)(O)[C@H](OC)CC(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000238775373 JG Annotated Mild COC(=O)[C@H]1C[C@@]23CCCN4CC[C@@]5(c6ccc(OC)c(OC)c6N(C(=O)OC)[C@]15CC2)[C@@H]43 ZINC000238776667 JG Annotated Anodyne CC[C@@H]1O[C@]12[C@H](O)C[C@H]([C@@H](CC(C)C)C(=O)c1cc([C@@H](OC)C(C)C)c(O)c(C=O)c1O)O[C@H]2O ZINC000238776922 JG Annotated Anodyne CC(=O)O[C@@H](C)C(=O)N[C@H]1/C=C(C)/C=C/[C@H](O)C/C=C(C)/C=C/[C@H](O)C/C=C(\C)C(=O)[C@H]1C ZINC000238777213 JG Annotated Mild C=CC[C@]12C=C(OC)[C@@H](OC(C)=O)[C@](OC)(C1=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C ZINC000238777218 JG Annotated Mild CO[C@H](CC[C@@H](C)[C@H](OC(=O)C[C@H](O)[C@H](C)O)[C@H](C)C(=O)O)c1cc(O)ccc1Br ZINC000238778431 JG Annotated Anodyne CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)[C@@H]1C(=O)[C@H](O)C[C@H](O)[C@]1(C)O)OC ZINC000238778620 JG Annotated Mild C=C[C@](C)(O)CC[C@H]1C(=C)[C@H](O)C[C@H]2C(C)(C)[C@H](O)[C@H](OC(=O)/C(C)=C\C)C[C@]12COC(C)=O ZINC000238778691 JG Annotated Mild CO[C@H]1C=C[C@@]2(C(=O)[C@H](CCc3ccc(O)cc3)Cc3cc4c(cc32)OCO4)[C@@H](N(C)C=O)C1 ZINC000238779621 JG Annotated Anodyne COc1cc(O)c(-c2c(OC)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c(O)c1C(C)=O ZINC000238779663 JG Annotated Clean COc1ccc2c([C@@]3(O)O[C@H](C=C(C)C)N4C(=O)[C@@H]5CCCN5C(=O)[C@@H]43)cn(CC=C(C)C)c2c1 ZINC000238780018 JG Annotated Anodyne COc1cc2c(cc1OC(C)=O)C(=O)[C@@H]1Cc3cc(OC)c(OC(C)=O)cc3[C@H]2[C@H]1COC(C)=O ZINC000238780048 JG Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)C2=C(C)C(=O)O[C@@]2(O)C/C(C)=C/CC[C@@H](C)[C@@H]2CC[C@]1(C)O2 ZINC000238781079 JG Annotated Anodyne C=C[C@H](CCCCC)C1=C(C(=O)[C@H]2[C@H](C)C=C[C@]3(O)C[C@H](C(=O)O)C[C@H](C)[C@H]23)C(=O)NC1=O ZINC000238781179 JG Annotated Mild C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@@](C)(O)C[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000238781793 JG Annotated Mild CC(=O)O[C@H]1C/C=C(\C)C[C@H]2O[C@H]([C@H]3[C@@H]2C(C)=C[C@@H](OC(C)=O)[C@@H]3C(C)(C)OC(C)=O)[C@]1(C)O ZINC000238782318 JG Annotated Anodyne CC(=O)O[C@H]1C/C=C(/C)C[C@H]2O[C@H]([C@H]3[C@@H]2C(C)=C[C@@H](OC(C)=O)[C@@H]3C(C)(C)OC(C)=O)[C@]1(C)O ZINC000238782323 JG Annotated Anodyne CC1(C)O[C@H]2CC(=O)O[C@]2(C)[C@H]1CC(=O)C[C@H]1C(=O)CC[C@]23C[C@]12C(=O)O[C@H]3c1ccoc1 ZINC000238783015 JG Annotated Anodyne C=C1[C@@H](O)CC[C@@](C)(OC(=O)CCC)[C@@H]2O[C@H]([C@@H]1O)[C@H]1C(=C)CC[C@H]([C@@H](C)COC(C)=O)[C@H]12 ZINC000238783661 JG Annotated Mild C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)CC=C(C)[C@H]23)[C@](C)(OC(C)=O)[C@@H](OC(=O)[C@H](O)CC)C[C@@H]1O ZINC000238783738 JG Annotated Mild CCc1cc(O)c2c(c1)C(SC[C@H](NC(C)=O)C(=O)O)=C1C(=O)c3c(O)cccc3C(O)=C12 ZINC000238784026 JG Annotated Mild CS/C=C/C(=O)O[C@H]1C[C@](C)(OC(C)=O)C(=O)CC[C@]2(C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1C(C)C ZINC000238784070 JG Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC[C@@H]2[C@H](OC(=O)C=C(C)C)[C@]3(OC)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C ZINC000238784087 JG Annotated Anodyne CC1=C(C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23OC(=O)C/C=C(\C)C(=O)[C@H](C)C/C=C/[C@@H]3[C@H]1O ZINC000238785049 JG Annotated Mild C=C1[C@@H](O)CC[C@@](C)(OC(=O)CCC)[C@@H]2O[C@H]([C@@H]1O)[C@H]1C(=C)[C@@H](OC(C)=O)C[C@H](C(C)C)[C@H]12 ZINC000238785229 JG Annotated Mild COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](C4=CCOC4=O)C[C@H]3O[C@@H]2[C@H](OC(C)=O)[C@H]2C(C)=CCC(=O)[C@@]21C ZINC000238786192 JG Annotated Anodyne COC(=O)[C@H](O)[C@H]1C(C)(C)C(=O)C=C[C@]1(C)[C@@H]1CC[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]32[C@]1(C)O ZINC000238786202 JG Annotated Mild C/C=C(\C)C(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H]1CCC[C@]21CO1 ZINC000238786448 JG Annotated Anodyne O=C(O)/C=C\C=C/C1=C(c2ccccc2C(=O)O)C(=O)C(O)=C(c2ccccc2C(=O)O)C1=O ZINC000238787370 JG Annotated Mild O=C(O)/C=C/C=C\C1=C(c2ccccc2C(=O)O)C(=O)C(O)=C(c2ccccc2C(=O)O)C1=O ZINC000238787372 JG Annotated Mild CC[C@@H](C)/C(O)=C\C(=O)[C@@]1(C(=O)[C@]2(C)C[C@@H](C(C)(C)O)OC2=O)C[C@@H]2[C@H](CC[C@]2(C)O)[C@@](C)(O)C1 ZINC000238787804 JG Annotated Mild CCCC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@@H](C(=O)OC)[C@@H](C=O)[C@]12C=O ZINC000238787915 JG Annotated Mild C=C1[C@H](OC(=O)/C=C(\C)[C@H](C)O)[C@H](OC(=O)C(C)C)[C@@H](C(C)C)[C@@H]2[C@@H]([C@H](C)OC(C)=O)C(=O)C[C@@H]12 ZINC000238788138 JG Annotated Mild C=C1C[C@@H](OC(C)=O)[C@H](C(C)(C)OC(C)=O)[C@@H]2[C@H]1[C@H]1C/C(C)=C/C[C@H](OC(C)=O)[C@@](C)(O)[C@@H]2O1 ZINC000238788172 JG Annotated Mild C=C[C@](C)(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C(C)=C[C@H](OO)C[C@@H]21)O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000238789128 JG Annotated Reactive CC[C@H](C)CC[C@@H]1[C@@H](CO[C@@H]2O[C@@H]([C@H](O)CO)[C@H](O)[C@H]2O)CC[C@H]2C(C)(C)CCC[C@@]21C ZINC000238789866 JG Annotated Anodyne Cc1cc(/C=C/C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c(C)n1-c1nccs1 ZINC000024767735 JG Annotated Anodyne Cc1cc(/C=C/C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(C)n1-c1nccs1 ZINC000024767753 JG Annotated Anodyne Cc1ccc(Cn2cccc/c2=N\C(=O)CCNS(=O)(=O)c2ccccc2Br)cc1 ZINC000024969330 JG Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)N2CCOCC2)C1 ZINC000024978180 JG Annotated Anodyne in-vivo CCOc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N([C@H](C)CC)C(=O)[C@H]24)cc1 ZINC000245234684 JG Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N([C@@H](C)CC)[C@H]4C(=O)NC2CCCCC2)cc1 ZINC000245234685 JG Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N([C@H](C)CC)[C@H]4C(=O)NC2CCCCC2)cc1 ZINC000245234686 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000245235952 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000245235953 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000245235954 JG Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1C ZINC000245235974 JG Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(C4CC4)[C@@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)cc1C ZINC000245235975 JG Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(C4CC4)[C@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)cc1C ZINC000245235976 JG Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C2CC2)[C@H]4C(=O)NC2CCCCC2)cc1C ZINC000245235977 JG Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@H]3C)N(C(C)(C)C)C(=O)[C@H]24)c1 ZINC000245236257 JG Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C(C)(C)C)C(=O)[C@H]24)c1 ZINC000245236259 JG Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@H]3CCCC[C@H]3C)N(C(C)(C)C)C(=O)[C@H]24)c1 ZINC000245236260 JG Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@H]3CCCC[C@@H]3C)N(C(C)(C)C)C(=O)[C@H]24)c1 ZINC000245236261 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000245236326 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000245236327 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000245236328 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000245236329 JG Annotated Anodyne O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N(C1CC1)[C@H]3C(=O)NC1CCCCC1 ZINC000245236430 JG Annotated Anodyne O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C2CC2)C(=O)[C@H]13 ZINC000245236431 JG Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000245236503 JG Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000245236504 JG Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245236505 JG Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000245236506 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C ZINC000245236699 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000245236700 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000245236701 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245236702 JG Annotated Anodyne CSc1cccc(NC(=O)[C@H]2[C@@H]3C(=O)N(C(C)C)[C@@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)c1 ZINC000245236962 JG Annotated Anodyne CSc1cccc(NC(=O)[C@H]2[C@@H]3C(=O)N(C(C)C)[C@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)c1 ZINC000245236963 JG Annotated Anodyne CSc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C(C)C)[C@H]4C(=O)NC2CCCCC2)c1 ZINC000245236964 JG Annotated Anodyne CSc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C(C)C)C(=O)[C@H]24)c1 ZINC000245236965 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000245236987 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000245236989 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000245236991 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000245236993 JG Annotated Anodyne C[C@H]1CCC[C@@H](C)N1CCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000247853124 JG Annotated Anodyne C[C@H]1CCC[C@@H](C)N1CCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000247853126 JG Annotated Anodyne C[C@H]1CCC[C@@H](C)N1CCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000247853128 JG Annotated Anodyne C[C@H]1CCC[C@@H](C)N1CCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000247853130 JG Annotated Anodyne CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000248196888 JG Annotated Anodyne CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000248196890 JG Annotated Anodyne COC(=O)C1=C(C(=O)c2ccc(Br)cc2)[C@@H](c2ccc(F)cc2)Nc2nnnn21 ZINC000002601391 JG Annotated Mild COC(=O)C1=C(C(=O)c2ccc(Br)cc2)[C@H](c2ccc(F)cc2)Nc2nnnn21 ZINC000002601392 JG Annotated Mild CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N3CCCC[C@H]3C)c21 ZINC000002601834 JG Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N3CCCC[C@@H]3C)c21 ZINC000002601835 JG Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCc3cccs3)c21 ZINC000002601847 JG Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(CCCN(C)C)[C@H]3c3ccccc3F)oc12 ZINC000002604198 JG Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(CCCN(C)C)[C@@H]3c3ccccc3F)oc12 ZINC000002604199 JG Annotated Anodyne O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000002636955 JG Annotated Reactive O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ncc(Cl)cc1Cl ZINC000002637926 JG Annotated Anodyne CC(C)CCn1c(=O)c2ccccc2n2c(CN3C(=O)NC4(CCC(C)CC4)C3=O)nnc12 ZINC000002656140 JG Annotated Anodyne COC[C@H](C)n1c(C)cc(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c1C ZINC000002663609 JG Annotated Anodyne COC[C@@H](C)n1c(C)cc(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c1C ZINC000002663610 JG Annotated Anodyne CC1(C)COCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1 ZINC000002723595 JG Annotated Anodyne aggregator C=c1[nH]n(-c2ccc(C(=O)O)cc2)c(=O)/c1=C/c1ccc(-c2ccc(Cl)c(C(=O)OCC)c2)o1 ZINC000002811048 JG Annotated Anodyne CCOC(=O)c1c(NC(=O)c2nn(CC)cc2Br)c(C#N)nn1-c1ccccc1 ZINC000002835305 JG Annotated Mild COc1ccc(OC)c([C@@H]2C[C@@H](c3ccc(I)cc3)Nc3nnnn32)c1 ZINC000002916454 JG Annotated Anodyne COc1ccc(OC)c([C@H]2C[C@H](c3ccc(I)cc3)Nc3nnnn32)c1 ZINC000002916455 JG Annotated Anodyne COc1ccc(OC)c([C@@H]2C[C@H](c3ccc(I)cc3)Nc3nnnn32)c1 ZINC000002916457 JG Annotated Anodyne COc1ccc([C@@H]2C[C@@H](c3ccc(I)cc3)Nc3nnnn32)cc1OC ZINC000002916476 JG Annotated Anodyne COc1ccc([C@H]2C[C@H](c3ccc(I)cc3)Nc3nnnn32)cc1OC ZINC000002916478 JG Annotated Anodyne COc1ccc([C@@H]2C[C@H](c3ccc(I)cc3)Nc3nnnn32)cc1OC ZINC000002916479 JG Annotated Anodyne COc1ccc([C@@H]2C[C@@H](c3ccc(I)cc3)Nc3nnnn32)c(OC)c1 ZINC000002918732 JG Annotated Anodyne COc1ccc([C@H]2C[C@H](c3ccc(I)cc3)Nc3nnnn32)c(OC)c1 ZINC000002918733 JG Annotated Anodyne COc1ccc([C@@H]2C[C@H](c3ccc(I)cc3)Nc3nnnn32)c(OC)c1 ZINC000002918735 JG Annotated Anodyne COc1ccccc1NC(=O)c1sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c2c1C ZINC000002922448 JG Annotated Anodyne COc1ccccc1NC(=O)c1sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c2c1C ZINC000002922449 JG Annotated Anodyne Cc1c(C(=O)NCc2ccc(F)cc2)sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 ZINC000002922536 JG Annotated Anodyne Cc1c(C(=O)NCc2ccc(F)cc2)sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 ZINC000002922537 JG Annotated Anodyne COc1ccccc1NC(=O)Cn1cnc2sc(C(=O)N3CCC(C)CC3)c(C)c2c1=O ZINC000002922815 JG Annotated Anodyne O=S(=O)(NCc1ccc2c(c1)OCO2)c1cc(Br)c(Br)s1 ZINC000002926036 JG Annotated Anodyne COc1ccc(NS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)cc1OC ZINC000002928145 JG Annotated Anodyne CCOC(=O)CC1(NS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)CCCCC1 ZINC000002928154 JG Annotated Anodyne Cc1c(C(=O)N2CCC3(CC2)OCCO3)sc2ncnc(N3CCN(c4ccccc4)CC3)c12 ZINC000002931426 JG Annotated Anodyne O=C(NCCCN1CCOCC1)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000002947372 JG Annotated Anodyne O=C(NCCCN1CCOCC1)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000002947375 JG Annotated Anodyne O=C(NCCCN1CCOCC1)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000002947378 JG Annotated Anodyne O=C(NCCCN1CCOCC1)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000002947379 JG Annotated Anodyne CCOc1cc2[nH]c(=O)n(CCC(=O)N3CC=C(c4ccccc4)CC3)c(=O)c2cc1OCC ZINC000002952515 JG Annotated Anodyne COCCCNC(=O)CSC1=Nc2ccccc2C2=N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N12 ZINC000002964286 JG Annotated Anodyne COCCCNC(=O)CSC1=Nc2ccccc2C2=N[C@H](Cc3c[nH]c4ccccc34)C(=O)N12 ZINC000002964287 JG Annotated Anodyne O=c1c2ccccc2nc(SC/C(O)=N/C[C@H]2CCCO2)n1C[C@H]1COc2ccccc2O1 ZINC000002972168 JG Annotated Mild O=c1c2ccccc2nc(SC/C(O)=N/C[C@H]2CCCO2)n1C[C@@H]1COc2ccccc2O1 ZINC000002972169 JG Annotated Mild O=c1c2ccccc2nc(SC/C(O)=N/C[C@@H]2CCCO2)n1C[C@H]1COc2ccccc2O1 ZINC000002972171 JG Annotated Mild O=c1c2ccccc2nc(SC/C(O)=N/C[C@@H]2CCCO2)n1C[C@@H]1COc2ccccc2O1 ZINC000002972172 JG Annotated Mild CCCCn1c(SCC(=O)NCc2ccccc2)nc2ccc(N3CCOCC3)cc2c1=O ZINC000002976384 JG Annotated Anodyne CCCCn1c(SCc2cc(=O)n3ccccc3n2)nc2ccc(N3CCOCC3)cc2c1=O ZINC000002976394 JG Annotated Anodyne CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]4C2=O)CC1 ZINC000250476825 JG Annotated Anodyne CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]4C2=O)CC1 ZINC000250476827 JG Annotated Anodyne COc1cccc(NC(=O)[C@H]2[C@@H]3C(=O)N(CCC(C)C)[C@@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)c1 ZINC000253481481 JG Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(CCC(C)C)[C@H]4C(=O)NC2CCCCC2)c1 ZINC000253481482 JG Annotated Anodyne COc1cccc(NC(=O)[C@H]2[C@@H]3C(=O)N(CCC(C)C)[C@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)c1 ZINC000253481483 JG Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000253481573 JG Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000253481574 JG Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000253481575 JG Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000253481576 JG Annotated Anodyne CCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253481716 JG Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253481717 JG Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253481718 JG Annotated Anodyne CCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253481719 JG Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)N(C3CC3)C(=O)[C@H]24)cc1C ZINC000253482003 JG Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)N(C3CC3)C(=O)[C@H]24)cc1C ZINC000253482004 JG Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)N(C3CC3)C(=O)[C@H]24)cc1C ZINC000253482005 JG Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)N(C3CC3)C(=O)[C@H]24)cc1C ZINC000253482006 JG Annotated Anodyne Cc1cc(C)cc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)c1 ZINC000253482447 JG Annotated Anodyne Cc1cc(C)cc(NC(=O)[C@H]2[C@@H]3C(=O)N(C4CC4)[C@@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)c1 ZINC000253482448 JG Annotated Anodyne Cc1cc(C)cc(NC(=O)[C@H]2[C@@H]3C(=O)N(C4CC4)[C@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)c1 ZINC000253482449 JG Annotated Anodyne Cc1cc(C)cc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C2CC2)[C@H]4C(=O)NC2CCCCC2)c1 ZINC000253482450 JG Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(C4CC4)[C@@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)cc1Cl ZINC000253482639 JG Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(C4CC4)[C@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)cc1Cl ZINC000253482640 JG Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C2CC2)[C@H]4C(=O)NC2CCCCC2)cc1Cl ZINC000253482641 JG Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000253482921 JG Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000253482922 JG Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000253482923 JG Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000253482924 JG Annotated Anodyne CSc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C2CC2)[C@H]4C(=O)NC2CCCCC2)c1 ZINC000253483182 JG Annotated Anodyne CCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(OCC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253483211 JG Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(OCC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253483212 JG Annotated Anodyne CCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(OCC)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253483213 JG Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(OCC)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253483214 JG Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000253483398 JG Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000253483399 JG Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000253483400 JG Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C ZINC000253483401 JG Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@H]3CCCC[C@@H]3C)N(C(C)C)C(=O)[C@H]24)cc1 ZINC000253483475 JG Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@H]3C)N(C(C)C)C(=O)[C@H]24)cc1 ZINC000253483476 JG Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@H]3CCCC[C@H]3C)N(C(C)C)C(=O)[C@H]24)cc1 ZINC000253483477 JG Annotated Anodyne CCOc1cc2nc(=S)n(CCCC(=O)N3CCC4(CC3)OCCO4)c(O)c2cc1OCC ZINC000253496782 JG Annotated Anodyne CN(C)Cc1ccc(N[C@H]2C(=O)[C@@H](Cl)[C@H](Nc3ccc(CN(C)C)cc3)C(=O)[C@@H]2Cl)cc1 ZINC000253634096 JG Annotated Reactive CN(C)CCSc1ccc(C=c2nc(O)c(=Cc3ccc(Br)cc3)nc2O)s1 ZINC000253636263 JG Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C=C(C(C)=O)C[C@@H]3O[C@@H]1C[C@@H](N)C[C@H](C)O1 ZINC000253638272 JG Annotated Mild CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@@H]2[C@@H]3[C@H]([C@H](O)C[C@]21C)[C@]1(C)C=CC(=O)C=C1C[C@H]3Cl ZINC000253648784 JG Annotated Reactive CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@@H]2[C@@H]3[C@H]([C@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl ZINC000253648790 JG Annotated Reactive CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@@H]2[C@@H]3[C@H]([C@H](O)C[C@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl ZINC000253648793 JG Annotated Reactive CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@@H]2[C@@H]3[C@H]([C@H](O)C[C@@]21C)[C@]1(C)C=CC(=O)C=C1C[C@H]3Cl ZINC000253648795 JG Annotated Reactive Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)C[C@H]5C[C@H]6CC[C@H]5C6)CC4)c(F)c3)C(=O)O2)nn1 ZINC000253651206 JG Annotated Anodyne Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)C[C@@H]5C[C@H]6CC[C@H]5C6)CC4)c(F)c3)C(=O)O2)nn1 ZINC000253651211 JG Annotated Anodyne CN(C[C@@H]1C[C@H](C2=N[C@@H](c3cccc(OCc4ccccc4)c3)[C@H]3C(N)=NC=CN23)C1)N1CCNCC1 ZINC000253659037 JG Annotated Anodyne CN(C[C@@H]1C[C@H](C2=N[C@H](c3cccc(OCc4ccccc4)c3)[C@H]3C(N)=NC=CN23)C1)N1CCNCC1 ZINC000253659042 JG Annotated Anodyne CN(C[C@@H]1C[C@H](C2=N[C@@H](c3cccc(OCc4ccccc4)c3)[C@@H]3C(N)=NC=CN23)C1)N1CCNCC1 ZINC000253659047 JG Annotated Anodyne CN(C[C@@H]1C[C@H](C2=N[C@H](c3cccc(OCc4ccccc4)c3)[C@@H]3C(N)=NC=CN23)C1)N1CCNCC1 ZINC000253659050 JG Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@]4(O)CC=CC(=O)[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253666725 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]12C ZINC000253666735 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C ZINC000253666741 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@]4(O)CC=CC(=O)[C@]4(C)[C@@H]3CC[C@]12C ZINC000253666749 JG Annotated Mild CO[C@H]1C=CCCC=CC(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O ZINC000253666770 JG Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000253667105 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@@H]3C[C@@H](O)[C@@]12C ZINC000253667112 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@@]12C ZINC000253667122 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C ZINC000253667130 JG Annotated Mild CN1CCN(CCCN2N=C3/C(=C/c4ccccc4)CS(=O)(=O)C[C@@H]3[C@H]2c2ccccc2)CC1 ZINC000253669521 JG Annotated Anodyne CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@@H]2CC[C@@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000253673808 JG Annotated Mild CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@@H]2CC[C@@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)C1 ZINC000253673824 JG Annotated Mild CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000253673836 JG Annotated Mild CC1=CC(=O)OC[C@]23CCC(C)=C[C@H]2O[C@@H]2C[C@@H](OC(=O)C=CC=CC(=O)OCC1)[C@@]3(C)[C@]21CO1 ZINC000253676573 JG Annotated Anodyne COc1cc(C(=O)C(=O)N2[C@H]3CCC[C@H]2[C@H]2c4cc(C)ccc4CCN2C3=O)cc(OC)c1OC ZINC000253678000 JG Annotated Anodyne Cc1cc(-c2nnn(C[C@@H]3CC[C@@H](C(=O)O)CC3)n2)cc(C(=O)NCc2ccc(F)c(F)c2)n1 ZINC000253679008 JG Annotated Anodyne COc1ccc(-c2ccc(C=NNC(=O)CNC(=O)c3ccc4c(c3)OCO4)o2)cc1Cl ZINC000253681622 JG Annotated Reactive CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@](O)([C@@H](C)[C@H](C)O)[C@@H](C(=O)O)[C@H]3C2=CO1 ZINC000253684931 JG Annotated Mild CN1CCC[C@@H](NC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000253686264 JG Annotated Anodyne CCCOC(=O)[C@H]1[C@H]2C(=O)C[C@@H](c3ccc(OCC(=O)O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000253688271 JG Annotated Anodyne CCCOC(=O)[C@@H]1[C@H]2C(=O)C[C@@H](c3ccc(OCC(=O)O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000253688287 JG Annotated Anodyne CO[C@@H]1[C@@H](C)O[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)[C@@H]2O[C@@H]21 ZINC000253691728 JG Annotated Mild CN(C)CCSc1ccc(C=c2nc(O)c(=Cc3ccccc3Br)nc2O)s1 ZINC000253694974 JG Annotated Anodyne CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)CN2CCSc3cc(Cl)ccc32)CC1 ZINC000253732028 JG Annotated Anodyne CO[C@H]1[C@@H]2O[C@@H]2[C@@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)O[C@@H]1C ZINC000253733742 JG Annotated Mild Cn1ncc2c1[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)[C@H]1[C@H]3C[C@H]4C[C@@]1(C2)C[C@@]4(C)O3 ZINC000253761654 JG Annotated Anodyne Cn1ncc2c1[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)[C@@H]1[C@H]3C[C@H]4C[C@@]1(C2)C[C@@]4(C)O3 ZINC000253761665 JG Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CN2CCOCC2)[C@H]1c1ccccc1 ZINC000253778688 JG Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CN2CCOCC2)[C@H]1c1ccccc1 ZINC000253778701 JG Annotated Anodyne C[C@H]1[C@@H]2C[C@@]34C=CC(=O)[C@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@@H]1O[C@@]2(C)C4 ZINC000253783052 JG Annotated Mild C[C@H]1[C@@H]2C[C@@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@H]3[C@@H]1O[C@@]2(C)C4 ZINC000253783060 JG Annotated Mild C[C@H]1[C@@H]2C[C@@]34C=CC(=O)[C@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@H]3[C@@H]1O[C@@]2(C)C4 ZINC000253783067 JG Annotated Mild CNC(=O)CN1c2ccccc2N(C2CCN([C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)S1(=O)=O ZINC000253810647 JG Annotated Anodyne CNC(=O)CN1c2ccccc2N(C2CCN([C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)S1(=O)=O ZINC000253810650 JG Annotated Anodyne CNC(=O)CN1c2ccccc2N(C2CCN([C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)S1(=O)=O ZINC000253810652 JG Annotated Anodyne Cc1cc(-c2nnn(C[C@@H]3CC[C@@H](C(=O)O)CC3)n2)cc(C(=O)NCc2ccc(F)c(C)c2)n1 ZINC000253810796 JG Annotated Anodyne CC[C@H](c1nnnn1CCOC)N(Cc1cc2c(C)cc(C)cc2nc1O)C[C@H]1CCCO1 ZINC000253916660 JG Annotated Anodyne CC[C@@H](c1nnnn1CCOC)N(Cc1cc2c(C)cc(C)cc2nc1O)C[C@H]1CCCO1 ZINC000253916662 JG Annotated Anodyne CNC(=O)CN1Cc2ccccc2N(C2CCN([C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)S1(=O)=O ZINC000253952097 JG Annotated Anodyne CNC(=O)CN1Cc2ccccc2N(C2CCN([C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)S1(=O)=O ZINC000253952099 JG Annotated Anodyne CNC(=O)CN1Cc2ccccc2N(C2CCN([C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)S1(=O)=O ZINC000253952101 JG Annotated Anodyne CC[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OC)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H](CO)[C@H]1CO ZINC000253966598 JG Annotated Anodyne CC[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OC)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H](CO)[C@@H]1CO ZINC000253966604 JG Annotated Anodyne CC[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OC)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](CO)[C@H]1CO ZINC000253966608 JG Annotated Anodyne C[C@@H]1C[N@+](C)(CC(=O)c2ccc(-c3ccc(C(=O)C[N@+]4(C)CCO[C@H](C)C4)cc3)cc2)CCO1 ZINC000253978800 JG Annotated Mild C[C@H]1C[N@@+](C)(CC(=O)c2ccc(-c3ccc(C(=O)C[N@+]4(C)CCO[C@H](C)C4)cc3)cc2)CCO1 ZINC000253978802 JG Annotated Mild C[C@H]1C[N@+](C)(CC(=O)c2ccc(-c3ccc(C(=O)C[N@+]4(C)CCO[C@H](C)C4)cc3)cc2)CCO1 ZINC000253978804 JG Annotated Mild C[C@@H]1C[N@@+](C)(CC(=O)c2ccc(-c3ccc(C(=O)C[N@+]4(C)CCO[C@H](C)C4)cc3)cc2)CCO1 ZINC000253978805 JG Annotated Mild CC[C@H](c1nnnn1CCOC)N(Cc1cc2cc(C)c(C)cc2nc1O)C[C@H]1CCCO1 ZINC000253981685 JG Annotated Anodyne CC[C@@H](c1nnnn1CCOC)N(Cc1cc2cc(C)c(C)cc2nc1O)C[C@H]1CCCO1 ZINC000253981688 JG Annotated Anodyne C=CC[C@@H]1C=C[C@H](ON=C2c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@H]2O)[C@@H](CO)O1 ZINC000254009910 JG Annotated Mild C=CC[C@@H]1C=C[C@H](ON=C2c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@H]2O)[C@H](CO)O1 ZINC000254009919 JG Annotated Mild C=CC[C@@H]1C=C[C@H](ON=C2c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@@H]2O)[C@H](CO)O1 ZINC000254009927 JG Annotated Mild C=CC[C@@H]1C=C[C@H](ON=C2c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@@H]2O)[C@@H](CO)O1 ZINC000254009933 JG Annotated Mild CC1=C[C@@H]2[C@H]3C[C@@H](C)[C@]4(OCO[C@]45COCO5)[C@@]3(C)C[C@H](O)[C@H]2[C@@]2(C)CC(C=O)=C(O)C=C12 ZINC000254016465 JG Annotated Reactive CC1=C[C@@H]2[C@H]3C[C@@H](C)[C@]4(OCO[C@@]45COCO5)[C@@]3(C)C[C@H](O)[C@H]2[C@@]2(C)CC(C=O)=C(O)C=C12 ZINC000254016469 JG Annotated Reactive CC1=C[C@@H]2[C@H]3C[C@H](C)[C@]4(OCO[C@@]45COCO5)[C@@]3(C)C[C@H](O)[C@H]2[C@@]2(C)CC(C=O)=C(O)C=C12 ZINC000254016471 JG Annotated Reactive CC1=C[C@@H]2[C@H]3C[C@H](C)[C@]4(OCO[C@]45COCO5)[C@@]3(C)C[C@H](O)[C@H]2[C@@]2(C)CC(C=O)=C(O)C=C12 ZINC000254016475 JG Annotated Reactive CC(=O)OC[C@@H]1O[C@H](CC=NO[C@@H](C)CN2CCCCc3nc(C)c(C)cc32)C=C[C@H]1OC(C)=O ZINC000254017730 JG Annotated Mild CC(=O)OC[C@@H]1O[C@H](CC=NO[C@H](C)CN2CCCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000254017740 JG Annotated Mild CC(=O)OC[C@@H]1O[C@H](CC=NO[C@@H](C)CN2CCCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000254017752 JG Annotated Mild CC(=O)OC[C@@H]1O[C@H](CC=NO[C@H](C)CN2CCCCc3nc(C)c(C)cc32)C=C[C@H]1OC(C)=O ZINC000254017760 JG Annotated Mild COC(=O)C(C(=O)OC)[C@@H]1O[C@]23CN(S(=O)(=O)c4ccc(C)cc4)C=C[C@]2(C)[C@@H]3c2ccccc21 ZINC000254019186 JG Annotated Anodyne COC(=O)C(C(=O)OC)[C@@H]1O[C@]23CN(S(=O)(=O)c4ccc(C)cc4)C=C[C@]2(C)[C@H]3c2ccccc21 ZINC000254019193 JG Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc(C(=O)c3ccccc3Cl)c2)nc1O ZINC000254073887 JG Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C(=O)NC(=O)C[C@H]1[C@H](COCc1ccccc1)OCc1ccccc1 ZINC000254075962 JG Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C(=O)NC(=O)C[C@@H]1[C@H](COCc1ccccc1)OCc1ccccc1 ZINC000254075966 JG Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@H](C(=O)c2ccccc2)N2N=C(c3ccc(Cl)cc3)C=C[C@@H]12 ZINC000254077965 JG Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H](C(=O)c2ccccc2)N2N=C(c3ccc(Cl)cc3)C=C[C@@H]12 ZINC000254077969 JG Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@](O)(c2ccccc2)[C@@H](C(=O)OCC)[C@@H]1c1ccc(N(C)C)cc1 ZINC000254079972 JG Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@](O)(c2ccccc2)[C@@H](C(=O)OCC)[C@H]1c1ccc(N(C)C)cc1 ZINC000254079974 JG Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@H](C)[C@@H]2CC[C@@H]3[C@H]4C[C@@H]5O[C@@]56[C@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@]23C)C1 ZINC000254095607 JG Annotated Mild CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@@H]2CC[C@@H]3[C@H]4C[C@@H]5O[C@@]56[C@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@]23C)C1 ZINC000254095608 JG Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@H]2CC[C@@H]3[C@H]4C[C@@H]5O[C@@]56[C@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@]23C)C1 ZINC000254095609 JG Annotated Mild CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@@H]3[C@H]4C[C@@H]5O[C@@]56[C@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@]23C)C1 ZINC000254095610 JG Annotated Mild NC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1C[C@H](c2ncon2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000254124782 JG Annotated Anodyne CCO[P@](=O)(O)[C@H](NCCN[C@H](c1ccccc1O)[P@@](=O)(O)OCC)c1ccccc1O ZINC000254130867 JG Annotated Clean COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CC[C@@H]2C)cc1NC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)O ZINC000254133760 JG Annotated Anodyne COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CC[C@H]2C)cc1NC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)O ZINC000254133761 JG Annotated Anodyne O=C(Cc1cc(=O)oc2cc(O)ccc12)NN=Cc1ccc(N(CCCl)CCCl)cc1 ZINC000254133973 JG Annotated Reactive N[C@@H]1CC[C@@H](Nc2c(C(=O)NCc3ccccn3)nc(Br)c3cccnc23)CC1 ZINC000254135015 JG Annotated Anodyne COC(=O)[C@]1(C)C=CC(=O)[C@]2(C)[C@@H]1[C@H](O)[C@@H]1O[C@@H]3C[C@H](c4ccoc4)C(C)=C3[C@]1(C)[C@H]2CC(=O)O ZINC000254144449 JG Annotated Mild COC(=O)[C@]1(C)C=CC(=O)[C@@]2(C)[C@@H](CC(=O)O)[C@@]3(C)C4=C(C)[C@@H](c5ccoc5)C[C@H]4O[C@H]3[C@@H](O)[C@@H]21 ZINC000254144454 JG Annotated Mild COC(=O)[C@]1(C)C=CC(=O)[C@]2(C)[C@@H]1[C@H](O)[C@@H]1O[C@@H]3C[C@H](c4ccoc4)C(C)=C3[C@@]1(C)[C@@H]2CC(=O)O ZINC000254144459 JG Annotated Mild COC(=O)[C@]1(C)C=CC(=O)[C@]2(C)[C@@H]1[C@H](O)[C@@H]1O[C@@H]3C[C@H](c4ccoc4)C(C)=C3[C@@]1(C)[C@H]2CC(=O)O ZINC000254144465 JG Annotated Mild COC(=O)C[N@@+]1(C)CCc2c(cc3c(c2C(=O)/C=C/c2cc(OC)ccc2OC)OCO3)C1 ZINC000254153229 JG Annotated Mild COC(=O)C[N@+]1(C)CCc2c(cc3c(c2C(=O)/C=C/c2cc(OC)ccc2OC)OCO3)C1 ZINC000254153232 JG Annotated Mild CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc(C(=O)c3ccc(Cl)cc3)c2)nc1O ZINC000254153277 JG Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@]2(O)C=CC(=O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@]132 ZINC000254194346 JG Annotated Mild CCCCCCCSC[C@@H]1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12CO[C@@]3(O)[C@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000254200965 JG Annotated Mild CCCCCCCSC[C@@H]1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12CO[C@@]3(O)[C@H](O)[C@H]1C(C)(C)CC[C@@H]2O ZINC000254200969 JG Annotated Mild CCCCCCCSC[C@@H]1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12CO[C@@]3(O)[C@H](O)[C@@H]1C(C)(C)CC[C@H]2O ZINC000254200971 JG Annotated Mild CCCCCCCSC[C@@H]1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12CO[C@@]3(O)[C@H](O)[C@H]1C(C)(C)CC[C@H]2O ZINC000254200974 JG Annotated Mild O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C(=O)c1ccccc1F)[C@@H]1OC(=O)[C@@H]2C=CC=C[C@@H]21 ZINC000254209939 JG Annotated Bother O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C(=O)c1ccccc1F)[C@@H]1OC(=O)[C@H]2C=CC=C[C@@H]21 ZINC000254209940 JG Annotated Bother CCOC(=O)c1ccc(N=c2sc(C(=O)OC)cc(=O)n2-c2ccc(C(=O)OCC)cc2)cc1 ZINC000254291488 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc(-c2csc(=Nc3ccccc3)n2CCCN2CCOCC2)c1 ZINC000254303846 JG Annotated Anodyne CCc1cccc(NC(=S)NN=Cc2cn(C)c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 ZINC000254447143 JG Annotated Mild aggregator CCOC(=O)c1sc(=NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)n(C)c1C ZINC000254457582 JG Annotated Anodyne COC(=O)Cn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(Br)ccc21 ZINC000254478006 JG Annotated Bother CCNC(=O)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C(=Nc2ccc(OCC)cc2)S1 ZINC000254488576 JG Annotated Mild COCCn1c(=NC(=O)c2cc(Cl)sc2Cl)sc2cc(S(N)(=O)=O)ccc21 ZINC000254512591 JG Annotated Anodyne CCCCN(C)S(=O)(=O)c1ccc(C(=O)N=c2sc3cc(NC(C)=O)ccc3n2C)cc1 ZINC000254582726 JG Annotated Anodyne COc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2oc1=Nc1cccc(C(N)=O)c1 ZINC000254624193 JG Annotated Anodyne O=C(c1ccccc1NN=C1C(=O)N(c2ccccc2)N=C1c1ccccc1)N1CCOCC1 ZINC000254764036 JG Annotated Mild CCOCCn1c(=NC(=O)c2cc(Cl)sc2Cl)sc2cc(S(N)(=O)=O)ccc21 ZINC000254772075 JG Annotated Anodyne COC(=O)Cn1c(=NC(=O)c2sc3ccccc3c2Cl)sc2cc(S(N)(=O)=O)ccc21 ZINC000254797252 JG Annotated Anodyne CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000254798843 JG Annotated Anodyne aggregator CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000254798847 JG Annotated Anodyne aggregator COc1cc(NC(=O)c2cc3c(CO)cnc(C)c3oc2=Nc2cccc(C(N)=O)c2)cc(OC)c1 ZINC000254821961 JG Annotated Anodyne CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/N=Cc3c[nH]c4ccccc34)NC2=O)cc1 ZINC000254870040 JG Annotated Mild aggregator CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N/N=Cc3c[nH]c4ccccc34)NC2=O)cc1 ZINC000254870041 JG Annotated Mild aggregator COC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(=O)OC)c(/C=N/NC(N)=O)c1 ZINC000025975165 JG Annotated Reactive O=C(OCCOCN1c2ccccc2C(=O)N(Cc2ccccc2)S1(=O)=O)c1ccccc1 ZINC000025982987 JG Annotated Anodyne O=C1[C@@H]2C3CCC(CC3)[C@@H]2S(=O)(=O)N1CCCCC1CCN(c2cncc(Cl)n2)CC1 ZINC000025983432 JG Annotated Anodyne O=C1[C@H]2C3CCC(CC3)[C@@H]2S(=O)(=O)N1CCCCC1CCN(c2cncc(Cl)n2)CC1 ZINC000025983438 JG Annotated Anodyne O=C1[C@@H]2C3CCC(CC3)[C@H]2S(=O)(=O)N1CCCCC1CCN(c2cncc(Cl)n2)CC1 ZINC000025983448 JG Annotated Anodyne O=C1[C@H]2C3CCC(CC3)[C@H]2S(=O)(=O)N1CCCCC1CCN(c2cncc(Cl)n2)CC1 ZINC000025983457 JG Annotated Anodyne COC(=O)C[C@@H](c1ccc(OC)nc1)N(C)C(=O)CCCCc1nc2c(cc1C#N)CCCN2 ZINC000025995758 JG Annotated Mild COC(=O)C[C@@H](c1ccc(OC)nc1)N(C)C(=O)CCCCc1nc2c(cc1NC(C)=O)CCCN2 ZINC000025998981 JG Annotated Anodyne COC(=O)C[C@@H](c1ccc(OC)nc1)N(C)C(=O)CCCCc1nc2c(cc1[N+](=O)[O-])CCCN2 ZINC000025999656 JG Annotated Bother C[C@]12CC[C@@H]3[C@H](CC[C@@]45C[C@@H]6C[C@@H](O[C@@](C)(O6)O4)[C@]35C=O)[C@H]1[C@@H]1O[C@@H]1[C@@H]2c1ccc(=O)oc1 ZINC000255193436 JG Annotated Mild C[C@H]1C[C@]2(O)C(=O)[C@@]3(C)[C@H]4[C@H](CC[C@@]3(C)[C@H](O)[C@H]2[C@H]1O)C(C)(C)[C@@H]4OC(=O)/C=C/c1ccccc1 ZINC000255193555 JG Annotated Anodyne 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CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000255205302 JG Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@H](C)[C@H]2CC[C@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1 ZINC000255205303 JG Annotated Mild CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]32C)C1 ZINC000255205304 JG Annotated Mild CO[C@H]1CC(=O)[C@]23C(=O)N[C@H](Cc4ccccc4)[C@H]2[C@@H](C)[C@]2(C)O[C@@H]2[C@H]3/C=C/C[C@@H](C)C[C@@]1(C)O ZINC000255205439 JG Annotated Anodyne C[C@@H](c1cccc2c1CC[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C)[C@H]1C[C@@]2(C)O[C@@]2(C)[C@H](O)O1 ZINC000255205564 JG Annotated Mild C[C@@H](c1cccc2c1CC[C@@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000255205565 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C1 ZINC000255205583 JG Annotated Mild CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C1 ZINC000255205584 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@@H]2CC[C@@H]3[C@@H]4[C@H]5O[C@H]5[C@@]5(O)CC=CC(=O)[C@@]5(C)[C@@H]4C[C@@H](O)[C@@]23C)C1 ZINC000255205585 JG Annotated Mild CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)C1 ZINC000255205586 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4C[C@@H](O)[C@@]32C)C1 ZINC000255205587 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4C[C@H](O)[C@@]32C)C1 ZINC000255205588 JG Annotated Mild O=C1C([C@@H]2CC[C@H]3[C@@H]4CCCN5CCC[C@H](CN3C2=O)[C@H]45)=CC[C@H]2[C@@H]3CCCN4CCC[C@H](CN12)[C@H]34 ZINC000255205594 JG Annotated Anodyne C/C=C/C=C\C(=O)[C@@H]1[C@@H]([C@]2(C)OC(=O)C(C)=C2O)[C@H]2/C(=C(O)\C=C\C=C\C)C(=O)[C@@H]1C(=O)[C@@]2(C)O ZINC000255205703 JG Annotated Mild C[C@H]([C@H]1C[C@@](C)(O)[C@](C)(O)[C@@H](O)O1)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000255206664 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000255208549 JG Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@@H]4CC[C@]23C)C1 ZINC000255208633 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255208747 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]32C)C1 ZINC000255208748 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255208749 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000255208750 JG Annotated Mild CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000255208751 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000255208752 JG Annotated Mild CC1=CC[C@@]23CC[C@]4(C)[C@@](CC[C@@H]5[C@@]6(C)[C@@H](O)C[C@H](O)[C@](C)(O)[C@@H]6[C@H]6O[C@H]6[C@]54C)(OC2=O)[C@@H]3C1 ZINC000255209126 JG Annotated Anodyne C[C@H]1[C@@H](O)[C@@]2(OC1(C)C)O[C@]13CC[C@H]([C@@H]2C)[C@@]1(C)C=C[C@@]1(O)C3=CC(=O)C2=CC(=O)CC[C@@]21C ZINC000255209267 JG Annotated Mild C=C1C[C@H]2O[C@@H]3[C@H]4[C@@H](C[C@@H](C)[C@@H](OC(=O)CCC)[C@H]42)[C@@H](C)CO[C@@]3(C)[C@H](OC(C)=O)C[C@H]1O ZINC000255209573 JG Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)C[C@H](OC(=O)c7ccccc7)[C@@H](OC(C)=O)[C@]47[C@H](C2)[C@]3(C[C@H]5[C@@H]76)[C@@H]1O ZINC000255212042 JG Annotated Mild C=C1[C@@H](O)[C@H](O)C[C@@]2(C)[C@H]1[C@H](O)C[C@]1(C)[C@@H]2[C@@H]2O[C@@H]2[C@]23OC(=O)[C@@]4(CC[C@@H](C)[C@H](C)[C@H]42)CC[C@]31C ZINC000255212049 JG Annotated Mild C[C@H]1[C@@H](O)[C@@]2(OC1(C)C)O[C@]13CC[C@H]([C@@H]2C)[C@@]1(C)C=CC1=C3[C@H](O)[C@@H](O)C2=CC(=O)CC[C@@]21C ZINC000255212418 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@H](O)[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000255212478 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C1 ZINC000255213543 JG Annotated Anodyne C[C@H]1C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)[C@@]3(C)[C@H]4[C@H](CC[C@@]3(C)[C@H](O)[C@H]2[C@H]1O)C(C)(C)[C@@H]4O ZINC000255214292 JG Annotated Anodyne C[C@H]1C[C@]2(OC(=O)/C=C\c3ccccc3)C(=O)[C@@]3(C)[C@H]4[C@H](CC[C@@]3(C)[C@H](O)[C@H]2[C@H]1O)C(C)(C)[C@@H]4O ZINC000255214293 JG Annotated Anodyne C[C@@H]1C[C@@]2(OC(=O)/C=C/c3ccccc3)C(=O)[C@]3(C)[C@H]4[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@H](O)[C@@H]2[C@@H]1O ZINC000255214294 JG Annotated Anodyne CO[C@@H]([C@@H](C)O)[C@@H](C)[C@H]1O[C@]1(C)C[C@H](C)/C=C/C=C(\C)[C@H]1O[C@@H](CC(=O)O)C[C@H](O)[C@@H]1C ZINC000255218027 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000255218030 JG Annotated Mild CO[C@@]12C[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@@H]3CC[C@@](O)([C@H]([C@H]4CC(C)=C(C)C(=O)O4)CO1)[C@]32C ZINC000255218643 JG Annotated Mild CC1=C(C)[C@@H](O)[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]32C)OC1=O ZINC000255220195 JG Annotated Mild CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000255220486 JG Annotated Anodyne CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000255220487 JG Annotated Anodyne C[C@H]1/C=C/C(=O)O[C@]23C(=O)N[C@H](Cc4ccccc4)[C@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3/C=C/C[C@H](C)[C@@H]1O ZINC000255220816 JG Annotated Anodyne C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](O)C[C@@]5(C)CN4[C@@H]6[C@H]2[C@@H](OC(=O)/C=C\c2ccccc2)[C@H]1[C@@H](O)[C@@H]73 ZINC000255222104 JG Annotated Mild C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](O)C[C@@]5(C)CN4[C@@H]6[C@H]2[C@@H](OC(=O)/C=C/c2ccccc2)[C@H]1[C@@H](O)[C@@H]73 ZINC000255222105 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@H](O)[C@]34CC[C@H]5[C@@H](C[C@H]6O[C@]67[C@@H](O)CCC(=O)[C@]57C)[C@@H]3CC[C@H]24)C1 ZINC000255222609 JG Annotated Anodyne CC1(C)CC[C@H]([C@@](C)(O)[C@H]2CC[C@@]3(O)C4=CC(=O)[C@]5(C)C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]23C)O1 ZINC000255222658 JG Annotated Mild CC1(C)CC[C@H]([C@@](C)(O)[C@H]2CC[C@@]3(O)C4=CC(=O)[C@]5(C)C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]23C)O1 ZINC000255222659 JG Annotated Mild CC1(C)C[C@H](O)[C@@]2(CO)[C@@H](O)C[C@]3(C)C(=CC[C@H]4[C@H]3CC[C@@H]3[C@]4(C)CC[C@@H](O)[C@]3(C)O)[C@H]2C1 ZINC000255224054 JG Annotated Anodyne C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@@]1(C)C2=C(C[C@H]1O)[C@@H]1C[C@@H]3O[C@@]34CC=CC(=O)[C@]4(C)[C@H]1CC2 ZINC000255227918 JG Annotated Mild C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@@]1(C)C2=C(C[C@@H]1O)[C@@H]1C[C@@H]3O[C@@]34CC=CC(=O)[C@]4(C)[C@H]1CC2 ZINC000255227922 JG Annotated Mild C[C@H]1C[C@H]([C@@H](C)[C@H]2CC[C@@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C ZINC000255228643 JG Annotated Mild C[C@H]1C[C@H]([C@@H](C)[C@H]2CC[C@@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)OC(=O)[C@@H]1C ZINC000255228645 JG Annotated Mild C[C@H]([C@@H]1C[C@@H](C)[C@H](C)C(=O)O1)[C@@H]1CC[C@]2(O)[C@@H]3[C@H]4O[C@H]4[C@]4(O)CC=CC(=O)[C@@]4(C)[C@@H]3CC[C@]12C ZINC000255228647 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@@H](C)[C@H]3[C@H]4CC(=O)[C@]3(C[C@H]12)C[C@@]41C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@H]3C[C@@H]21 ZINC000255229159 JG Annotated Mild C[C@H]1C[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC(=O)[C@H]1C ZINC000255235062 JG Annotated Mild COC(=O)[C@@]12C(=O)C(C)=C(OC)[C@]1(C)C(C)=C[C@@H]1[C@]2(C)C[C@@H]2OC(=O)[C@]13CC[C@H](O)C(C)(C)[C@@H]23 ZINC000255238880 JG Annotated Mild CO[C@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2C[C@H](O)[C@H]3[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]132 ZINC000255239846 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C=C5C(=O)C=CC(=O)[C@@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255244081 JG Annotated Mild C[C@@H]1C(=O)O[C@H]([C@@](C)(O)[C@@H]2[C@H](O)C[C@H]3[C@H]2C(=O)C[C@@H]2[C@@H]3CC=C3C=CCC(=O)[C@]32C)C[C@H]1C ZINC000255249220 JG Annotated Anodyne C[C@H]1C(=O)O[C@@H]([C@H]2O[C@]34C[C@H]5[C@@H](CC=C6C=CCC(=O)[C@@]65C)[C@@H]5C[C@H](O3)[C@@H]([C@@H]54)[C@@]2(C)O)[C@@H]1C ZINC000255249761 JG Annotated Anodyne in-vitro biogenic C[C@]12[C@H]3C[C@H]4C[C@]1(CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](c5ccc(=O)oc5)[C@@H](O)C[C@]12O)O[C@](C)(O4)O3 ZINC000255250645 JG Annotated Anodyne CC1=C(C)[C@H]([C@H]2O[C@@]3(O)C[C@H]4[C@@H](C[C@H]5O[C@]56CCCC(=O)[C@]46C)[C@@H]4CC[C@@](O)([C@@H]2C)[C@]43C)OC1=O ZINC000255250775 JG Annotated Anodyne C[C@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)OC(=O)[C@@H]1C ZINC000255252542 JG Annotated Mild C[C@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@@H]3[C@H]4C[C@@H]5O[C@@]56[C@@H](O)C=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C ZINC000255252545 JG Annotated Mild C[C@H]1C[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)OC(=O)[C@@H]1C ZINC000255252547 JG Annotated Mild C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@H]1[C@H](O)C[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@@]21C ZINC000255255520 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@H]3[C@]2(C)CC[C@H]2[C@@]3(O)[C@H]3O[C@H]3[C@@]3(O)CC=CC(=O)[C@]23C)C1 ZINC000255258122 JG Annotated Mild C[C@]12CC[C@H]3[C@@H]([C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]34C)[C@@H]1CC[C@H]2[C@H]1C[C@]2(C)C[C@H]1OC(=O)[C@]2(C)O ZINC000255258760 JG Annotated Mild C[C@@H]1[C@@H](O)[C@H](OC(=O)/C=C/c2ccccc2)[C@]2(C)[C@@H]3[C@@H](CC[C@]24CO4)O[C@@H]2O[C@@H](C[C@H]2CCO)[C@@]13C ZINC000255259397 JG Annotated Anodyne C[C@@H]1[C@@H](O)[C@H](OC(=O)/C=C\c2ccccc2)[C@]2(C)[C@@H]3[C@@H](CC[C@]24CO4)O[C@@H]2O[C@@H](C[C@H]2CCO)[C@@]13C ZINC000255259398 JG Annotated Anodyne C=C(C(C)C)[C@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@@]4(C)[C@H]3CC[C@@]12C ZINC000255259663 JG Annotated Mild C=C(C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255259664 JG Annotated Mild CC(=O)[C@](O)(C(C)C)[C@H]1OC(=O)[C@@H]2[C@H]1O[C@H]1C=C3C4=C([C@@H](O)C[C@]3(C)[C@@H]21)[C@@]1(C)CCC(=O)C[C@@H]1CC4 ZINC000255259690 JG Annotated Anodyne C[C@]12C[C@H]([C@H]3C[C@H]4C[C@]3(O)[C@@]3(C)CC[C@H]5C(=C43)C[C@H]3O[C@]34CC=CC(=O)[C@]54C)O[C@@H](O)[C@@]1(C)O2 ZINC000255260007 JG Annotated Mild C[C@@H](c1ccc2c(c1)CC[C@@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000255260099 JG Annotated Mild C[C@H](c1ccc2c(c1)CC[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000255260100 JG Annotated Mild C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000255260101 JG Annotated Mild C[C@@H](c1ccc2c(c1)CC[C@@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@@]2(C)O[C@@]2(C)[C@@H](O)O1 ZINC000255260102 JG Annotated Mild COC(=O)[C@@]12C(OC)=C(C)C(=O)[C@]1(C)C(C)=C[C@H]1[C@]2(C)C[C@@H]2OC(=O)[C@]13CC[C@H](O)C(C)(C)[C@@H]23 ZINC000255260352 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000255260609 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255260610 JG Annotated Mild CO[C@@]12C[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@H]3CC[C@@](O)([C@H](C)[C@@H]([C@H]4OC(=O)C(C)=C4C)O1)[C@]32C ZINC000255260898 JG Annotated Mild CO[C@@]12C[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@@H]3CC[C@@](O)([C@H](C)[C@H]([C@@H]4OC(=O)C(C)=C4C)O1)[C@]32C ZINC000255260899 JG Annotated Mild CC1=C2[C@@H](C[C@@H]1c1ccoc1)O[C@@H]1[C@@H]3OC[C@]4(C)[C@H](O)C[C@H](O)[C@](C)([C@@H](CC(=O)O)[C@]21C)[C@@H]34 ZINC000255261135 JG Annotated Anodyne C[C@@]12O[C@H]3C[C@@H](O1)[C@]1(C=O)[C@H]4CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]5(O)[C@@H]4CC[C@@]1(C3)O2 ZINC000255261197 JG Annotated Mild C[C@@]12O[C@H]3C[C@@H](O1)[C@]1(C=O)[C@@H]4CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]5(O)[C@@H]4CC[C@@]1(C3)O2 ZINC000255261198 JG Annotated Mild C[C@@]12O[C@H]3C[C@@H](O1)[C@]1(C=O)[C@@H]4CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]5(O)[C@H]4CC[C@@]1(C3)O2 ZINC000255261199 JG Annotated Mild C[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@@H]1CO[C@]2(C)C[C@H]1OC(=O)[C@@H]2CO ZINC000255261747 JG Annotated Mild C/C=C(\C)C(=O)O[C@H]1O[C@@H]2C[C@@H]3[C@@](C)(CC[C@H]4CCO[C@H]4O)[C@H](C)C[C@H](OC(C)=O)[C@]13[C@@]1(CO1)C2 ZINC000255262127 JG Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1O[C@@H]2C[C@@H]3[C@@](C)(CC[C@H]4CCO[C@@H]4O)[C@H](C)C[C@H](OC(C)=O)[C@]13[C@@]1(CO1)C2 ZINC000255262128 JG Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)[C@H]1O ZINC000255262156 JG Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]32C)[C@H]1O ZINC000255262157 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000255262167 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000255262168 JG Annotated Mild C[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@@H]1CC[C@@]2(O)[C@@H]1C[C@]2(C)C[C@H]1OC(=O)[C@]2(C)O ZINC000255262736 JG Annotated Mild C[C@]12C[C@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2 ZINC000255262737 JG Annotated Mild CO[C@@H]([C@@H](C)O)[C@@H](C)[C@H]1O[C@]1(C)C[C@H](C)/C=C/C=C(\CO)[C@H]1O[C@@H](CC(=O)O)CC[C@@H]1C ZINC000255263417 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1 ZINC000255264095 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000255264096 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@H]3[C@H]4C[C@@H]5O[C@@]56[C@H](O)C=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)C1 ZINC000255264097 JG Annotated Mild CC1=C(C)C(=O)O[C@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1 ZINC000255264098 JG Annotated Mild C[C@@H](C1=CCC2=C(CC[C@H]3[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]32C)C1)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000255264189 JG Annotated Mild CC(=O)O[C@@H]1[C@H](O)[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3C3=C[C@H](O)OC3=O)[C@]12C ZINC000255264213 JG Annotated Mild CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3C3=C[C@H](O)OC3=O)[C@]12C ZINC000255264214 JG Annotated Mild CC1=C2[C@H](O)C[C@]3(C)[C@H]([C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CC[C@](C)(O)[C@H](C)[C@@H]46)CC[C@]53C)[C@@]2(C)C=C(O)C1=O ZINC000255264337 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@H](CO)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000255269430 JG Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2C[C@@H]3O[C@@]34[C@@H]3CC[C@H]5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]24C)C1 ZINC000255271094 JG Annotated Mild CC(=O)O[C@@H]1[C@H](O)[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3C3=CC(=O)O[C@@H]3O)[C@]12C ZINC000255271288 JG Annotated Mild C=C1[C@@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23[C@@H](O)/C=C\[C@@](C)(O)C[C@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000255271606 JG Annotated Mild C[C@H]([C@H]1C[C@](C)(O)[C@@H](C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000255272211 JG Annotated Mild C[C@H]1O[C@@H](O[C@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C=C[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)C[C@H](O)[C@@H]1O ZINC000255272860 JG Annotated Anodyne C[C@@H]1[C@H]2C[C@]3(C)O[C@]3(C)[C@H](O2)O[C@@H]2C[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000255273976 JG Annotated Mild C[C@@H]1[C@H]2C[C@]3(C)O[C@]3(C)[C@H](O2)O[C@@H]2C[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]12 ZINC000255273977 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@@]21C ZINC000255275871 JG Annotated Mild C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@]1(O)CC[C@]2(O)[C@@H]3C[C@H]4O[C@]45CCCC(=O)[C@]5(C)[C@H]3CC[C@@]21C ZINC000255276865 JG Annotated Anodyne CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3C(=O)[C@@H]3O[C@@H](C)[C@@H]5CC(=O)[C@@H]4[C@]35C)C2)O[C@H](C)[C@@H]1O ZINC000255277424 JG Annotated Anodyne CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3C(=O)[C@@H]3O[C@H](C)[C@@H]5CC(=O)[C@H]4[C@]35C)C2)O[C@H](C)[C@@H]1O ZINC000255277426 JG Annotated Anodyne CO[C@@H]1C[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3C(=O)[C@@H]3O[C@@H](C)[C@@H]5CC(=O)[C@H]4[C@]35C)C2)O[C@H](C)[C@@H]1O ZINC000255277428 JG Annotated Anodyne C[C@@H]1C[C@@H](O)[C@H]([C@H](C)[C@H]2CC[C@H]3C4=CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H]3[C@]2(C)O)N(C)C1 ZINC000255278488 JG Annotated Mild C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000255278859 JG Annotated Mild C[C@@H]([C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255278861 JG Annotated Mild C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255278863 JG Annotated Mild CO[C@@H]([C@@H](C)O)[C@@H](C)[C@H]1O[C@]1(C)C[C@](C)(O)/C=C/C=C(\C)[C@H]1O[C@@H](CC(=O)O)CC[C@@H]1C ZINC000255280294 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(O)[C@H]4CC[C@@]32C)C1 ZINC000255280377 JG Annotated Mild C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@]2(O)O[C@]12C ZINC000255280559 JG Annotated Anodyne C[C@H](/C=C/[C@H](CO)C(C)(C)O)[C@H]1C[C@H](O)C2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C ZINC000255280569 JG Annotated Mild C[C@@H](C1=CC[C@@H]2C(=CC[C@H]3[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]32C)C1)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000255281849 JG Annotated Mild C=C1C[C@H]2[C@]34OC(=O)[C@]2(CC[C@@]3(C)[C@]2(C)CC[C@H]3[C@@](C)(O)[C@@H](O)CC[C@]3(C)[C@H]2[C@@H]2O[C@@H]24)C[C@H]1O ZINC000255282118 JG Annotated Mild C[C@](O)(CO)[C@@H]1CC[C@H]2C(=O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5C[C@H](O)[C@]43C)[C@H]21 ZINC000255282119 JG Annotated Anodyne C[C@@]1(CO)C(=O)CC[C@@]2(C)[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3[C@@H](CC[C@H]3[C@@](C)(O)CO)C(=O)C[C@]21C ZINC000255282120 JG Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)C[C@@H](OC(=O)c7ccccc7)C[C@]47[C@H]([C@H]2OC(C)=O)[C@]3(C[C@H]5[C@@H]76)[C@@H]1O ZINC000255282612 JG Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=C[C@H](O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000255283485 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@]6(CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)[C@H]5O)C1 ZINC000255284421 JG Annotated Mild C[C@@H](C1=C[C@@H](O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000255285155 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@H]2CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000255285365 JG Annotated Mild CC(=O)O[C@@]1(c2ccc(=O)oc2)CC[C@]2(O)[C@@H]3CC[C@]4(O)C=CCC[C@]4(C=O)[C@H]3CC[C@]12C ZINC000255286548 JG Annotated Mild CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](C(=O)O)C[C@H]4O[C@]43[C@]12C ZINC000255286663 JG Annotated Mild C[C@H]1C[C@]2(O)C(=O)[C@@]3(C)[C@H](OC(=O)/C=C/c4ccccc4)[C@@H]4[C@H](CC[C@@]3(C)[C@H](O)[C@H]2[C@H]1O)C4(C)C ZINC000255286936 JG Annotated Anodyne C[C@@H]1C(=O)O[C@H]([C@@](C)(O)[C@@H]2[C@H](O)C[C@H]3[C@H]2C(=O)C[C@@H]2[C@@H]3CC=C3CC=CC(=O)[C@]32C)C[C@H]1C ZINC000255286942 JG Annotated Mild C[C@H]1C[C@H]([C@](C)(O)[C@H]2[C@@H](O)C[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@@H]32)OC(=O)[C@@H]1C ZINC000255286943 JG Annotated Mild in-vitro biogenic CC(=O)O[C@H]1CC[C@]2(O)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)[C@@H](OC(C)=O)[C@H]5O[C@]54[C@@H]3CC[C@@H]2C1 ZINC000255287151 JG Annotated Anodyne COc1cc([N+](=O)[O-])ccc1NNC1=C2C(=O)C=C(S(=O)(=O)O)C=C2C=CC1=Nc1ccccc1 ZINC000256835762 JG Annotated Mild O=C1NCC2(C/C=C/CCOc3ccccc31)CCN(C(=O)Cn1nnc3ccccc31)CC2 ZINC000257328876 JG Annotated Anodyne C=C1C[C@H](OC)C(=O)[C@@]2(C)[C@H]3[C@@H](OC)C[C@@](C)([C@@H]4OC(=O)C=C4C)C4=CC(=O)O[C@@H](C[C@H]12)[C@]43C ZINC000257379437 JG Annotated Mild C=C1C[C@H](OC)C(=O)[C@]2(C)[C@@H]1C[C@@H]1OC(=O)C=C3[C@]1(C)[C@H]2[C@@H](OC)C[C@@]3(C)[C@@H]1OC(=O)C=C1C ZINC000257379438 JG Annotated Mild C=C1C[C@H](OC)C(=O)[C@]2(C)[C@@H]1C[C@@H]1OC(=O)C=C3[C@](C)([C@@H]4OC(=O)C=C4C)C[C@H](OC)[C@@H]2[C@]31C ZINC000257379439 JG Annotated Mild C=C1C[C@H](OC)C(=O)[C@@]2(C)[C@H]3[C@@H](OC)C[C@@](C)([C@@H]4OC(=O)C=C4C)C4=CC(=O)O[C@@H](C[C@H]12)[C@@]43C ZINC000257379440 JG Annotated Mild CC(=O)O[C@@H]1c2c3c(cc(O)c2C(=O)O[C@@H]1C)O[C@@]1(C)[C@@H](C3)[C@@]2(C)C=CC(=O)C(C)(C)[C@H]2C[C@H]1O ZINC000257411627 JG Annotated Mild CC(=O)O[C@@H]1c2c3c(cc(O)c2C(=O)O[C@@H]1C)O[C@]1(C)[C@H](O)C[C@@H]2C(C)(C)C(=O)C=C[C@@]2(C)[C@H]1C3 ZINC000257411628 JG Annotated Mild CC(=O)O[C@@H]1c2c3c(cc(O)c2C(=O)O[C@@H]1C)O[C@@]1(C)[C@@H](C3)[C@]2(C)C=CC(=O)C(C)(C)[C@H]2C[C@H]1O ZINC000257411629 JG Annotated Mild CC(=O)O[C@@H]1c2c3c(cc(O)c2C(=O)O[C@@H]1C)O[C@]1(C)[C@H](O)C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]1C3 ZINC000257411630 JG Annotated Mild C[C@@H]([C@@H]1C[C@@H](C)[C@@H](C)C(=O)O1)[C@@H]1CC[C@]2(O)[C@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@@H]3CC[C@]12C ZINC000257477557 JG Annotated Mild C[C@H]1C[C@@H]([C@H](C)[C@@H]2CC[C@]3(O)[C@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)OC(=O)[C@H]1C ZINC000257477558 JG Annotated Mild C[C@H]1C[C@@H]([C@H](C)[C@@H]2CC[C@]3(O)[C@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)OC(=O)[C@@H]1C ZINC000257477559 JG Annotated Mild C[C@@H]1C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@]3(O)[C@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)C[C@H]1C ZINC000257477560 JG Annotated Mild C[C@@H]1C[C@@H]([C@@](C)(O)[C@@H]2CC[C@@H]3[C@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)OC(=O)[C@@H]1C ZINC000257484144 JG Annotated Mild C[C@@H]1C(=O)O[C@H]([C@@](C)(O)[C@@H]2CC[C@@H]3[C@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C[C@H]1C ZINC000257484145 JG Annotated Mild C[C@H]1C[C@@H]([C@@](C)(O)[C@@H]2CC[C@@H]3[C@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)OC(=O)[C@@H]1C ZINC000257484146 JG Annotated Mild C[C@H]1C[C@@H]([C@@](C)(O)[C@@H]2CC[C@@H]3[C@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)OC(=O)[C@H]1C ZINC000257484147 JG Annotated Mild CC[C@H](C)CC(=O)O[C@@H]1C=C2C(COC(=O)CC(C)(C)O)=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2 ZINC000257504857 JG Annotated Anodyne CC[C@H](C)CC(=O)O[C@@H]1C=C2C(COC(=O)CC(C)(C)O)=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@]12CO2 ZINC000257504858 JG Annotated Anodyne CC[C@H](C)CC(=O)O[C@@H]1C=C2C(COC(=O)CC(C)(C)O)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@]12CO2 ZINC000257504859 JG Annotated Anodyne C=C(C(C)C)[C@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000257514571 JG Annotated Mild C=C(C(C)C)[C@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000257514572 JG Annotated Mild C=C(C(C)C)[C@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257514573 JG Annotated Mild C=C(C(C)C)[C@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3COC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C ZINC000257514574 JG Annotated Mild CC(C)(O)[C@@H]1O[C@]2(O)CC[C@]3(C)[C@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@]43C)C2=CC1=O ZINC000257533559 JG Annotated Mild CC(C)(O)[C@@H]1O[C@]2(O)CC[C@@]3(C)[C@@]4(C)c5[nH]c6ccccc6c5C[C@@H]4CC[C@]3(O)C2=CC1=O ZINC000257533560 JG Annotated Mild CC(C)(O)[C@@H]1O[C@]2(O)CC[C@@]3(C)[C@@]4(C)c5[nH]c6ccccc6c5C[C@H]4CC[C@]3(O)C2=CC1=O ZINC000257533561 JG Annotated Mild CC(C)(O)[C@@H]1O[C@]2(O)CC[C@]3(C)[C@](O)(CC[C@@H]4Cc5c([nH]c6ccccc56)[C@]43C)C2=CC1=O ZINC000257533562 JG Annotated Mild CO[C@H]1C[C@@](C)([C@@H]2OC(=O)C=C2C)C2=CC(=O)O[C@H]3C[C@H]4[C@@H](C)C[C@@H](OC)C(=O)[C@@]4(C)[C@H]1[C@@]23C ZINC000257536764 JG Annotated Anodyne CO[C@H]1C[C@@](C)([C@@H]2OC(=O)C=C2C)C2=CC(=O)O[C@H]3C[C@H]4[C@@H](C)C[C@@H](OC)C(=O)[C@]4(C)[C@H]1[C@@]23C ZINC000257536765 JG Annotated Anodyne CO[C@H]1C[C@@](C)([C@@H]2OC(=O)C=C2C)C2=CC(=O)O[C@H]3C[C@H]4[C@@H](C)C[C@@H](OC)C(=O)[C@]4(C)[C@H]1[C@]23C ZINC000257536766 JG Annotated Anodyne CO[C@H]1C[C@@](C)([C@@H]2OC(=O)C=C2C)C2=CC(=O)O[C@H]3C[C@H]4[C@@H](C)C[C@@H](OC)C(=O)[C@@]4(C)[C@H]1[C@]23C ZINC000257536767 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@@H]2CC[C@@H]3[C@H]4C[C@@H]5O[C@@]56[C@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1 ZINC000257538314 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@H]2CC[C@@H]3[C@H]4C[C@@H]5O[C@@]56[C@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1 ZINC000257538315 JG Annotated Mild CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@@H]2CC[C@@H]3[C@H]4C[C@@H]5O[C@@]56[C@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1 ZINC000257538316 JG Annotated Mild CC1=C(C)C(=O)O[C@H]([C@@](C)(O)[C@@H]2CC[C@@H]3[C@H]4C[C@@H]5O[C@@]56[C@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1 ZINC000257538317 JG Annotated Mild CC1=C(C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]23[C@H](/C=C/C[C@@H](C)C[C@@](C)(O)/C=C\[C@H]3O)[C@@H]1O ZINC000257555288 JG Annotated Anodyne CC1=C(C)[C@H](O)[C@@H]2/C=C/C[C@@H](C)C[C@@](C)(O)/C=C\[C@@H](O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]13 ZINC000257555289 JG Annotated Anodyne CC1=C(C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](O)/C=C\[C@](C)(O)C[C@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000257555290 JG Annotated Anodyne CC1=C(C)[C@H](O)[C@H]2/C=C/C[C@@H](C)C[C@@](C)(O)/C=C\[C@@H](O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]13 ZINC000257555291 JG Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@H](OC(=O)/C=C/[S@](C)=O)[C@H](C)[C@@]21C ZINC000257565419 JG Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@H](OC(=O)/C=C/[S@](C)=O)[C@@H](C)[C@@]21C ZINC000257565420 JG Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@H](OC(=O)/C=C/[S@](C)=O)[C@H](C)[C@]21C ZINC000257565421 JG Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@H](OC(=O)/C=C/[S@](C)=O)[C@@H](C)[C@]21C ZINC000257565422 JG Annotated Anodyne COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@@]23O)c(C)c1Cl ZINC000257623909 JG Annotated Reactive COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@]23O)c(C)c1Cl ZINC000257623910 JG Annotated Reactive COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@H](O)[C@@]34O[C@@](OC)(CC[C@]3(C)[C@H]1C2)OC4(C)C ZINC000257803252 JG Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@H](O)[C@@]34O[C@@](OC)(CC[C@@]3(C)[C@H]1C2)OC4(C)C ZINC000257803253 JG Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@H](O)[C@@]34O[C@@](OC)(CC[C@@]3(C)[C@@H]1C2)OC4(C)C ZINC000257803254 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2[C@@H]3C[C@@](c4ccc(F)cc4)(CO3)[C@H]2C/C=C\COCC(=O)O)cc1 ZINC000026009587 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2[C@H]3C[C@](c4ccc(F)cc4)(CO3)[C@H]2C/C=C\COCC(=O)O)cc1 ZINC000026009594 JG Annotated Anodyne O=C(O)COC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H]2C[C@@]1(c1ccc(F)cc1)CO2 ZINC000026013375 JG Annotated Anodyne O=C(O)COC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@H]2C[C@]1(c1ccc(F)cc1)CO2 ZINC000026013380 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2[C@@H]3C[C@@](c4ccc(F)cc4)(CO3)[C@H]2CCCCOCC(=O)O)cc1 ZINC000026013742 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2[C@H]3C[C@](c4ccc(F)cc4)(CO3)[C@H]2CCCCOCC(=O)O)cc1 ZINC000026013750 JG Annotated Anodyne O=C1NC(=O)[C@](CC#Cc2ccc(Br)cc2)(S(=O)(=O)c2ccccc2)S1 ZINC000026025365 JG Annotated Mild O=C1NC(=O)[C@@](CC#Cc2ccc(Br)cc2)(S(=O)(=O)c2ccccc2)S1 ZINC000026025372 JG Annotated Mild O=C1NC(=O)[C@](CC#Cc2ccc(F)cc2)(S(=O)(=O)c2ccc(Br)cc2)S1 ZINC000026027166 JG Annotated Mild O=C1NC(=O)[C@@](CC#Cc2ccc(F)cc2)(S(=O)(=O)c2ccc(Br)cc2)S1 ZINC000026027176 JG Annotated Mild O=C1NC(=O)[C@@](CC#Cc2ccc(Br)cc2)(S(=O)(=O)c2ccc(F)cc2)S1 ZINC000026027812 JG Annotated Mild O=C1NC(=O)[C@](CC#Cc2ccc(Br)cc2)(S(=O)(=O)c2ccc(F)cc2)S1 ZINC000026027820 JG Annotated Mild O=C1NC(=O)[C@@](CC#Cc2ccccc2)(S(=O)(=O)c2ccc(Br)cc2)S1 ZINC000026027888 JG Annotated Mild O=C1NC(=O)[C@](CC#Cc2ccccc2)(S(=O)(=O)c2ccc(Br)cc2)S1 ZINC000026027895 JG Annotated Mild CC1(C)C=C(n2ccccc2=O)c2cc(S(=O)(=O)NC(=O)NC3CCCCC3)ccc2O1 ZINC000026028267 JG Annotated Anodyne CCN(CC)CCNC(=O)c1ccc(COC[C@@H](CNCC(C)(C)S)NCC(C)(C)S)cc1 ZINC000026145586 JG Annotated Mild CCN(CC)CCNC(=O)c1ccc(COC[C@H](CNCC(C)(C)S)NCC(C)(C)S)cc1 ZINC000026145593 JG Annotated Mild CC1(C)CC2(CC(C)(C)c3cc(S(=O)(=O)O)c(O)cc32)c2cc(O)c(S(=O)(=O)O)cc21 ZINC000026154845 JG Annotated Anodyne COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](O)[C@H]3O)c(Cl)c2c1 ZINC000026166524 JG Annotated Anodyne Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C(C)(C)C2 ZINC000026171200 JG Annotated Clean Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C(C)(C)C2 ZINC000026171205 JG Annotated Clean CCN(CC)/C(C)=N/c1cc(Cl)cc2nc(N3CCN(C)CC3)c(N3CCN(C)CC3)nc12 ZINC000026172850 JG Annotated Mild CCn1c(SCc2nnc3n(C)c(=O)c4ccc(Cl)cc4n23)nc2ccc(OC)cc2c1=O ZINC000026178608 JG Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\Oc2ccccc2C(=O)OCC(=O)N(C)C)c2ccccc2)cc1 ZINC000026179096 JG Annotated Mild NC(=O)c1cc(CNC(=O)c2ccc(OP(=O)(O)O)cc2)ccc1OCC1CCCCC1 ZINC000026180894 JG Annotated Anodyne CN(C)C(=N)c1ccc(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cc1 ZINC000026182626 JG Annotated Anodyne CN(NS(=O)(=O)c1ccc2ccccc2c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000026258216 JG Annotated Anodyne Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)N4CCOCC4)ccc3n(C)c12 ZINC000026281031 JG Annotated Bother Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)NCCC(=O)O)ccc3n(C)c12 ZINC000026281936 JG Annotated Bother COc1ccc(C(=O)N[C@H](C(=O)NCC2CCN(C(C)C)CC2)c2ccccc2[N+](=O)[O-])cc1 ZINC000026376864 JG Annotated Bother CN(C)c1cc(CO[P@@](N)(=O)N(CCBr)CCBr)sc1[N+](=O)[O-] ZINC000026378552 JG Annotated Reactive CN(C)c1cc(CO[P@](N)(=O)N(CCBr)CCBr)sc1[N+](=O)[O-] ZINC000026378555 JG Annotated Reactive N#Cc1cc(CO[P@@](N)(=O)N(CCBr)CCBr)sc1[N+](=O)[O-] ZINC000026380506 JG Annotated Reactive N#Cc1cc(CO[P@](N)(=O)N(CCBr)CCBr)sc1[N+](=O)[O-] ZINC000026380509 JG Annotated Reactive NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)O1 ZINC000026383058 JG Annotated Mild CCOC(=O)[C@@H](NC(=O)[C@@H](OC(=O)c1ccc(C)c2cc(OC)ccc12)[C@]1(C)CO1)C(C)C ZINC000026466869 JG Annotated Anodyne CCOC(=O)CC1CCN(C[C@@H]2CN(c3ccc(C(=N)NC(=O)c4ccccc4)cc3)C(=O)O2)CC1 ZINC000026476789 JG Annotated Anodyne CCOC(=O)CC1CCN(C[C@H]2CN(c3ccc(C(=N)NC(=O)c4ccccc4)cc3)C(=O)O2)CC1 ZINC000026476795 JG Annotated Anodyne C[C@H]1C(COc2cccc3c2C/C(=C\c2cccs2)C3=O)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026490322 JG Annotated Mild CCOC(=O)C1CCN(C[C@@H]2CN(c3ccc(C(=N)NC(=O)c4ccccc4)cc3)C(=O)O2)CC1 ZINC000026495000 JG Annotated Anodyne CCOC(=O)C1CCN(C[C@H]2CN(c3ccc(C(=N)NC(=O)c4ccccc4)cc3)C(=O)O2)CC1 ZINC000026495003 JG Annotated Anodyne CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)C[C@H](CC(=O)O)C(=O)N(CCc1ccccc1)C2 ZINC000026495515 JG Annotated Anodyne CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)C[C@@H](CC(=O)O)C(=O)N(CCc1ccccc1)C2 ZINC000026495519 JG Annotated Anodyne CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\C(=O)OCC/C(C)=C\C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1 ZINC000026495996 JG Annotated Anodyne CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)C[C@H](CC(=O)O)C(=O)N(CCc1cccs1)C2 ZINC000026497754 JG Annotated Anodyne CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)C[C@@H](CC(=O)O)C(=O)N(CCc1cccs1)C2 ZINC000026497758 JG Annotated Anodyne CC(=O)O[C@H]1CO[C@@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O ZINC000026499131 JG Annotated Anodyne CC(=O)O[C@H]1CO[C@@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H]1OC(C)=O ZINC000026499134 JG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)CCC(C)(C)O)ncc3F)C2)cc1 ZINC000261070903 JG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C[C@@H]4CCOC4)ncc3Cl)C2)cc1 ZINC000261072205 JG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C[C@H]4CCOC4)ncc3Cl)C2)cc1 ZINC000261072206 JG Annotated Anodyne C[C@H](NC(=O)c1cncs1)c1ccc(O[C@@H]2CCN(c3nc(N(C)C)ncc3F)C2)cc1 ZINC000261076555 JG Annotated Anodyne CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@@H]1COC(=O)C1 ZINC000261076655 JG Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NCC(F)(F)CN3CCCC3)c2cn1)c1ccccc1 ZINC000261078691 JG Annotated Anodyne CC(=O)Nc1nc(C)c(S(=O)(=O)N(C)[C@@H]2CC[C@@H]([C@H](N)Cc3cc(F)ccc3F)CC2)s1 ZINC000261081110 JG Annotated Anodyne CCOCCCN1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCOCC4)c23)CC1 ZINC000261084079 JG Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NCc3nc4ccncc4[nH]3)c2cn1)c1ccccc1 ZINC000261087669 JG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(CCC#N)C[C@@H]4CCCO4)n3)C2)cc1 ZINC000261091654 JG Annotated Mild CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(CCC#N)C[C@H]4CCCO4)n3)C2)cc1 ZINC000261091655 JG Annotated Mild CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NC1(C(=O)O)CC1 ZINC000261095896 JG Annotated Anodyne COCCCCN1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCOCC4)c23)CC1 ZINC000261095934 JG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)cc1F ZINC000261096581 JG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1F ZINC000261096583 JG Annotated Anodyne C[C@H](NC(=O)C(F)F)c1ccc(O[C@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 ZINC000261099348 JG Annotated Anodyne C[C@H](NC(=O)C(F)F)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 ZINC000261099350 JG Annotated Anodyne Cc1cc2nc(O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCN(Cc2cccnc2)CC1 ZINC000261099964 JG Annotated Anodyne O=C(c1ccc(SCc2ccccc2B(O)O)nc1)N(Cc1ccncc1)c1ccc(F)cc1 ZINC000261101145 JG Annotated Reactive Cc1cc2nc(O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000261105615 JG Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@H]2C[C@@H]3CC[C@H](C2)N3CC(F)(F)F)cc1F ZINC000261107340 JG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCO[C@H](C(F)(F)F)C4)n3)C2)cc1 ZINC000261118543 JG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCO[C@@H](C(F)(F)F)C4)n3)C2)cc1 ZINC000261118544 JG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CCO[C@@H](C(F)(F)F)C4)ncc3F)C2)cc1 ZINC000261126375 JG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CCO[C@H](C(F)(F)F)C4)ncc3F)C2)cc1 ZINC000261126376 JG Annotated Anodyne COCCCN1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(CC4CC4)c23)C[C@@H]1C ZINC000261127382 JG Annotated Anodyne COC12CC3C[C@@H](C1)C(Oc1cc(F)c(C(=O)NS(=O)(=O)N4CCC4)cc1C1CC1)[C@@H](C3)C2 ZINC000261128520 JG Annotated Anodyne N#Cc1cnccc1COc1cnc(N2C[C@@H]3CC[C@H](C2)N3C(=O)O[C@H]2CC(F)(F)C2(F)F)nc1 ZINC000261134732 JG Annotated Mild COCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c(cc1C)nc(O)c1cnn(C3CCOCC3)c12 ZINC000261135341 JG Annotated Anodyne CNS(=O)(=O)NC(=O)c1cc(Cl)c(COc2ccc3c(c2)CCC(C)(C)O3)cc1F ZINC000261136285 JG Annotated Anodyne [C-]#[N+][C@@H]1C[C@@H](N(C)C2COC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000261137278 JG Annotated Reactive CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CCOC(C)(C)C4)ncc3F)C2)cc1 ZINC000261139388 JG Annotated Anodyne Cc1cc2nc(O)c3cnn([C@H]4CCOC4)c3c2cc1C(=O)N1CCN(CCC(F)(F)F)CC1 ZINC000261139908 JG Annotated Anodyne Cc1nc(N2CCCC2)nc(Sc2nnc3n2Nc2c(C)nc(N4CCCC4)nc2S3)c1C ZINC000261142900 JG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CC[C@H]4CN[C@H]4C3)cc2)n1 ZINC000261145670 JG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CC[C@@H]4CN[C@H]4C3)cc2)n1 ZINC000261145674 JG Annotated Anodyne C[C@H](NC(=O)c1cn[nH]c1)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 ZINC000261150448 JG Annotated Anodyne C[C@H](NC(=O)c1cn[nH]c1)c1ccc(O[C@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 ZINC000261150449 JG Annotated Anodyne CC(=O)N1CC(n2nc(C)c3c2C(=O)N(c2cc(C)c(=O)n(C)c2)[C@H]3c2ccc(Cl)cc2)C1 ZINC000261152285 JG Annotated Anodyne CC(=O)N1CC(n2nc(C)c3c2C(=O)N(c2cc(C)c(=O)n(C)c2)[C@@H]3c2ccc(Cl)cc2)C1 ZINC000261152286 JG Annotated Anodyne CCN(C)c1nccc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)c4cnoc4C)cc3)C2)n1 ZINC000261152765 JG Annotated Anodyne CCN(C)c1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4cnoc4C)cc3)C2)n1 ZINC000261152766 JG Annotated Anodyne CCc1c2c(nn1C(=O)N(C)C)C(=O)N(c1cc(C)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 ZINC000261155906 JG Annotated Anodyne CCc1c2c(nn1C(=O)N(C)C)C(=O)N(c1cc(C)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000261155907 JG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)[C@@H]4CCCOC4)ncc3F)C2)cc1 ZINC000261156457 JG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)[C@H]4CCCOC4)ncc3F)C2)cc1 ZINC000261156458 JG Annotated Anodyne CC[C@H]1CN(C(=O)C2(C#N)CCC2)C[C@H]1Nc1c(C(N)=O)cnn2cc(-c3ccnc(Cl)c3)cc12 ZINC000261159259 JG Annotated Mild CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N(CC(=O)O)CC1CC1 ZINC000261159992 JG Annotated Anodyne Cc1cc2nc(O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000261161074 JG Annotated Anodyne N#C[C@H]1C[C@H](N2C[C@@H]3[C@@H](CO)[C@@H]3C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000261161784 JG Annotated Mild N#C[C@H]1C[C@@H](N2C[C@@H]3[C@@H](CO)[C@@H]3C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000261161788 JG Annotated Mild O=C(Nc1ccc(F)cn1)c1ccc(S(=O)(=O)Cc2cc(OC(F)(F)F)ccc2O)nc1 ZINC000261164782 JG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C[C@@H]4CCOC4)ncc3C)C2)cc1 ZINC000261165826 JG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C[C@H]4CCOC4)ncc3C)C2)cc1 ZINC000261165828 JG Annotated Anodyne COCCCCN1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(CC4CCOCC4)c23)CC1 ZINC000261168664 JG Annotated Anodyne COc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1 ZINC000261171410 JG Annotated Anodyne COc1cc2nc(O)c3cnn(C4CCCC4)c3c2cc1C(=O)NCC(C)(C)N1CCOCC1 ZINC000261173575 JG Annotated Anodyne COCCN(CC(F)F)c1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 ZINC000261173973 JG Annotated Anodyne COCCCN(C)c1ncc(Cl)c(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 ZINC000261174479 JG Annotated Anodyne C[C@H](NC(=O)c1cncs1)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CCC#N)n3)C2)cc1 ZINC000261175291 JG Annotated Mild CCOCCCCN1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn([C@H]4CCOC4)c23)CC1 ZINC000261179199 JG Annotated Anodyne CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@@H](C)C(=O)O ZINC000261181956 JG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C[C@@H]4CCCO4)ncc3F)C2)cc1 ZINC000261182328 JG Annotated Anodyne CC1=C[C@@H]2[C@H]3C[C@H](C)[C@]4(OCO[C@@]45COCO5)[C@@]3(C)C[C@H](O)[C@H]2[C@@]2(C)C/C(=C\O)C(=O)C=C12 ZINC000261182717 JG Annotated Mild CC1=C[C@@H]2[C@H]3C[C@H](C)[C@]4(OCO[C@]45COCO5)[C@@]3(C)C[C@H](O)[C@H]2[C@@]2(C)C/C(=C\O)C(=O)C=C12 ZINC000261182719 JG Annotated Mild CC1=C[C@@H]2[C@H]3C[C@@H](C)[C@]4(OCO[C@]45COCO5)[C@@]3(C)C[C@H](O)[C@H]2[C@@]2(C)C/C(=C\O)C(=O)C=C12 ZINC000261182720 JG Annotated Mild CC1=C[C@@H]2[C@H]3C[C@@H](C)[C@]4(OCO[C@@]45COCO5)[C@@]3(C)C[C@H](O)[C@H]2[C@@]2(C)C/C(=C\O)C(=O)C=C12 ZINC000261182722 JG Annotated Mild CCCCNc1ncc(-c2ccc(C(=O)NC3CCN(C)CC3)cn2)c(N[C@@H]2CC[C@@H](O)CC2)n1 ZINC000261184546 JG Annotated Anodyne CCc1nn(C(=O)N(C)C)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261184810 JG Annotated Anodyne CCc1nn(C(=O)N(C)C)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261184811 JG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CCO[C@H](C)C4)ncc3Cl)C2)cc1 ZINC000261191026 JG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CCO[C@@H](C)C4)ncc3Cl)C2)cc1 ZINC000261191027 JG Annotated Anodyne CC(C)c1cnn2c(Nc3ccc(S(=O)(=O)N(C)C)cc3)cc(O[C@@H]3CC[C@@H](N)CC3)nc12 ZINC000261192775 JG Annotated Anodyne O=C(C[C@@H]1[C@@H]2C=CC=C[C@H]2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCC2(CC1)OCCO2 ZINC000261515698 JG Annotated Anodyne O=C(C[C@@H]1[C@H]2C=CC=C[C@H]2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCC2(CC1)OCCO2 ZINC000261515699 JG Annotated Anodyne C[C@]12CCC[N@+]([O-])(CC(=O)Nc3ccc(NC(=O)CCCC(=O)O)cc3)[C@@H]1CC[C@@]1(C)O[C@@H]21 ZINC000261527199 JG Annotated Mild in-vivo CCCCCCN1CCS(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)[C@@H](C(=O)OC)C1 ZINC000263590495 JG Annotated Anodyne C=C1C[C@@]23C[C@@]1(O)CCC2=C1C=C[C@@H](OC(=O)c2ccccc2)[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000263590633 JG Annotated Mild C=C1C[C@@]23C[C@@]1(O)CCC2=C1C=C[C@H](OC(=O)c2ccccc2)[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000263590634 JG Annotated Mild COc1ccccc1N=C1S[C@H](C(=O)Nc2cccc(Cl)c2Cl)C(N)=C1C(N)=O ZINC000263590670 JG Annotated Mild COc1ccccc1N=C1S[C@@H](C(=O)Nc2cccc(Cl)c2Cl)C(N)=C1C(N)=O ZINC000263590671 JG Annotated Mild C/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1/N=C(\C)c1cccc(OCC(=O)O)c1 ZINC000263590776 JG Annotated Mild Cc1cccc(NC(=O)[C@@H]2SC(=Nc3c(C)cccc3C)C(C(=O)N3CCOCC3)=C2N)c1 ZINC000263590799 JG Annotated Mild Cc1cccc(NC(=O)[C@H]2SC(=Nc3c(C)cccc3C)C(C(=O)N3CCOCC3)=C2N)c1 ZINC000263590800 JG Annotated Mild C=C1[C@H](C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@H](C)C/C=C/[C@@H]3[C@H]1O ZINC000263591157 JG Annotated Mild C=C1[C@@H](O)[C@H]2/C=C/C[C@@H](C)CCC[C@@H](O)/C=C/C(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000263591158 JG Annotated Mild C=C1[C@H](O)[C@@H]2/C=C/C[C@@H](C)CCC[C@@H](O)/C=C/C(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000263591159 JG Annotated Mild O=C(C1=CNN2C1=N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CCN2CCC[C@H]2C1 ZINC000263591915 JG Annotated Anodyne COC(=O)[C@]1(c2ccc(OC)cc2)N[C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 ZINC000263612846 JG Annotated Anodyne COC(=O)[C@]1(c2ccc(OC)cc2)N[C@H](c2ccccc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21 ZINC000263612847 JG Annotated Anodyne COC(=O)[C@]1(c2ccc(OC)cc2)N[C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21 ZINC000263612848 JG Annotated Anodyne C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C/CC/C=C\C=C\[C@@H]1C ZINC000263620869 JG Annotated Anodyne C[C@]12CC[C@@H]3[C@](C)(CCC[N@+]3([O-])CC(=O)Nc3ccc(NC(=O)CCCC(=O)O)cc3)[C@@H]1O2 ZINC000263621118 JG Annotated Mild in-vitro O[C@@H]1C(NCC[C@@H]2CCCCN2)=NC[C@@H](Cl)N1CCNCc1csc2ccc(Cl)cc12 ZINC000263621272 JG Annotated Anodyne in-vitro O[C@@H]1C(NCC[C@@H]2CCCCN2)=NC[C@H](Cl)N1CCNCc1csc2ccc(Cl)cc12 ZINC000263621273 JG Annotated Anodyne in-vitro Cc1cc(C(=O)N[P@@](=O)(N2C[C@H](C)O[C@H](C)C2)N2C[C@@H](C)O[C@H](C)C2)c(C)n1C1CC1 ZINC000263621744 JG Annotated Reactive Cc1cc(C(=O)N[P@](=O)(N2C[C@H](C)O[C@@H](C)C2)N2C[C@H](C)O[C@H](C)C2)c(C)n1C1CC1 ZINC000263621745 JG Annotated Reactive Cc1cc(C(=O)NP(=O)(N2C[C@H](C)O[C@@H](C)C2)N2C[C@H](C)O[C@@H](C)C2)c(C)n1C1CC1 ZINC000263621746 JG Annotated Reactive COC(=O)[C@H](O)[C@@H]1C(C)(C)[C@H](O)[C@H]2CC3=C4CC(=O)O[C@H](c5ccco5)[C@@]4(C)CC[C@H]3[C@@]1(C)C2=O ZINC000263636276 JG Annotated Anodyne COC(=O)[C@H](O)[C@@H]1C(C)(C)[C@H](O)[C@H]2CC3=C4CC(=O)O[C@H](c5ccco5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O ZINC000263636277 JG Annotated Anodyne COC(=O)[C@H](O)[C@@H]1C(C)(C)[C@H](O)[C@H]2CC3=C4CC(=O)O[C@H](c5ccco5)[C@]4(C)CC[C@H]3[C@@]1(C)C2=O ZINC000263636278 JG Annotated Anodyne COC(=O)[C@H](O)[C@@H]1C(C)(C)[C@H](O)[C@H]2CC3=C4CC(=O)O[C@H](c5ccco5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2=O ZINC000263636279 JG Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@@H](CO)[C@@H]2CC[C@@H]3[C@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)C1 ZINC000263638264 JG Annotated Mild CC1=C(C)C(=O)O[C@H]([C@H](CO)[C@@H]2CC[C@@H]3[C@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)C1 ZINC000263638265 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](CO)[C@@H]2CC[C@@H]3[C@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)C1 ZINC000263638266 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@H](CO)[C@@H]2CC[C@@H]3[C@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)C1 ZINC000263638267 JG Annotated Mild CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CCC[C@@H](O)C4)nc3c2)n1 ZINC000026501316 JG Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CCC[C@H](O)C4)nc3c2)n1 ZINC000026501318 JG Annotated Anodyne CCOC(=O)CCCN1C(=O)c2cc(OC)c(OC)cc2[C@H]2C(=O)c3cc4c(cc3[C@H]21)OCO4 ZINC000026501469 JG Annotated Anodyne CC(C)CCN1Cc2ccc(C(=O)N(C)CCC3CCNCC3)cc2C[C@@H](CC(=O)O)C1=O ZINC000026508374 JG Annotated Anodyne CC(C)CCN1Cc2ccc(C(=O)N(C)CCC3CCNCC3)cc2C[C@H](CC(=O)O)C1=O ZINC000026508379 JG Annotated Anodyne COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1COC[C@@]2(C1)OCCN[C@H]2c1ccc(F)cc1 ZINC000026568430 JG Annotated Anodyne COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1COC[C@]2(C1)OCCN[C@H]2c1ccc(F)cc1 ZINC000026568433 JG Annotated Anodyne CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)C[C@H](CC(=O)O)C(=O)N(C1CCCCC1)C2 ZINC000026568439 JG Annotated Anodyne CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)C[C@@H](CC(=O)O)C(=O)N(C1CCCCC1)C2 ZINC000026568442 JG Annotated Anodyne CCOCCC[C@@H](CC(=O)O)N1CCc2cc(OCc3ccc(C(=N)N)cc3)ccc2C1=O ZINC000026571145 JG Annotated Anodyne CCOCCC[C@H](CC(=O)O)N1CCc2cc(OCc3ccc(C(=N)N)cc3)ccc2C1=O ZINC000026571149 JG Annotated Anodyne O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@@H]2c3ccc(Cl)cc3SCc3cccnc32)CC1 ZINC000026574413 JG Annotated Anodyne O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@H]2c3ccc(Cl)cc3SCc3cccnc32)CC1 ZINC000026574415 JG Annotated Anodyne CN1Cc2cccnc2[C@@H](N2CCN(/C(=N/Cc3ccncc3)NC#N)CC2)c2ccc(Cl)cc21 ZINC000026574416 JG Annotated Mild N[C@@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21 ZINC000026575910 JG Annotated Anodyne N[C@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21 ZINC000026575911 JG Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)CNC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000026576099 JG Annotated Anodyne O[C@@H](CN1CCN(C2c3ccccc3-c3ccccc32)CC1)Cn1cnc2c(-n3cccc3)ncnc21 ZINC000026576440 JG Annotated Anodyne O[C@H](CN1CCN(C2c3ccccc3-c3ccccc32)CC1)Cn1cnc2c(-n3cccc3)ncnc21 ZINC000026576441 JG Annotated Anodyne O[C@@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(Cl)ncnc21 ZINC000026577558 JG Annotated Anodyne O[C@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(Cl)ncnc21 ZINC000026577559 JG Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](O)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000026578628 JG Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](O)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000026578629 JG Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)[C@@H]3O ZINC000026579054 JG Annotated Mild Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C)[C@@H]3O ZINC000026579055 JG Annotated Mild O=C(O)C[C@H](NC(=O)[C@@H]1CCCn2c(/C=C/C3CCNCC3)nnc21)c1cnc2ccccc2c1 ZINC000026579229 JG Annotated Anodyne O=C(O)C[C@H](NC(=O)[C@H]1CCCn2c(/C=C/C3CCNCC3)nnc21)c1cnc2ccccc2c1 ZINC000026579230 JG Annotated Anodyne COc1cc([C@H]2Oc3cc(/C=C/C(=O)c4c(O)cc(O)cc4O)cc(OC)c3O[C@@H]2CO)ccc1O ZINC000026579753 JG Annotated Mild O=C1O/C(=C\Cn2cc(Cl)c(=O)[nH]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000026579970 JG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4cc(-c5cccs5)no4)CC3)c(F)c2)C(=O)O1 ZINC000026637639 JG Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)n2c(CCc3ccccn3)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000026650042 JG Annotated Bother COC(=O)[C@@H](NC(=O)c1ccccc1-c1ccccc1C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C ZINC000026661690 JG Annotated Anodyne Cc1ccc(=O)n([C@@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)n1 ZINC000026666543 JG Annotated Mild Cc1ccc(=O)n([C@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)n1 ZINC000026666548 JG Annotated Mild COc1cc([C@H]2C3=C(COC3=O)Cc3cc(OC(C)=O)c(OC(C)=O)cc32)cc(OC)c1OC ZINC000026668632 JG Annotated Anodyne COc1ccc(S(=O)(=O)n2ccc3ccc(Br)cc32)cc1N1CCNCC1 ZINC000026671525 JG Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4ccc5cc[n+](C)cc5c4)cs3)[C@H](C)[C@H]12 ZINC000026716414 JG Annotated Anodyne NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Br)cc3)c(Cl)c2)c1N ZINC000026733883 JG Annotated Anodyne NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Br)c2)c1N ZINC000026734948 JG Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C)c(C(=O)O)c35)[nH]c2c(OC)c1OC ZINC000026746125 JG Annotated Mild CN(CCOc1cccc2ccccc12)CCc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000026747571 JG Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C)c(/C=N/O)c35)[nH]c2c(OC)c1OC ZINC000026751119 JG Annotated Mild CO/N=C/c1c(C)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(OC)c(OC)c(OC)c4[nH]1)C3=CC2=O ZINC000026752224 JG Annotated Mild COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C)c(C=O)c35)[nH]c2c(OC)c1OC ZINC000026752973 JG Annotated Mild COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C)c(CN(C)C)c35)[nH]c2c(OC)c1OC ZINC000026817959 JG Annotated Mild CCN(CC)C[C@H]1CO[C@H]2c3nc4c5ccccc5n(C)c4nc3NC(=O)N2[C@@H](CN(CC)CC)O1 ZINC000026824945 JG Annotated Anodyne CC(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ncccn4)CC3)c(OC(F)F)c21 ZINC000026834573 JG Annotated Anodyne CCCCN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 ZINC000026845301 JG Annotated Anodyne COC(=O)[C@@H]1Cc2ccc(OC)c(c2)Oc2ccc(cc2)C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N1 ZINC000026848435 JG Annotated Anodyne C[n+]1c2ccccc2c(Nc2ccc(NS(=O)(=O)CCCCN=C(N)N)cc2)c2ccccc21 ZINC000026849084 JG Annotated Mild COc1ccc(Sc2nc(N)nc3c2ncn3CCOC[P@](=O)(O)OCC(F)(F)F)cc1 ZINC000026849568 JG Annotated Anodyne O=C1CNC(=O)N1CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 ZINC000026851181 JG Annotated Clean O=S1(=O)CCCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2 ZINC000026938462 JG Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)ccc2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 ZINC000026939691 JG Annotated Anodyne CN(Cc1nc2ncccc2[nH]1)C(=O)c1ccc2c(c1)CN(CCC(C)(C)C)C(=O)[C@H](CC(=O)O)N2 ZINC000026940020 JG Annotated Anodyne O=C(OCOCN1c2ccccc2C(=O)N(Cc2ccccc2)S1(=O)=O)c1ccccc1 ZINC000026974259 JG Annotated Anodyne COCCOCOCc1cc(CCCCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 ZINC000026976781 JG Annotated Anodyne CC(=O)Nc1ccnc2c1C(=O)c1c(-c3ccccc3NC(=O)C(F)(F)F)ccnc1C2=O ZINC000026978814 JG Annotated Clean CCN(CCc1ccccn1)C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1 ZINC000026980986 JG Annotated Anodyne CCN(CCc1ccccn1)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1 ZINC000026981960 JG Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cc(N)n3nc(-c4ccc(Br)o4)nc3c2)C1 ZINC000026983411 JG Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2cc(N)n3nc(-c4ccc(Br)o4)nc3c2)C1 ZINC000026983422 JG Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cc(N)c3nc(-c4ccc(Br)o4)nn3c2)C1 ZINC000026983736 JG Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2cc(N)c3nc(-c4ccc(Br)o4)nn3c2)C1 ZINC000026983739 JG Annotated Anodyne C=C1COc2ccc3c(c2OC1)NC(=O)[C@@]31C[C@@]23CN4CCCC[C@]4(C[C@@H]2C1(C)C)C(=O)N3C ZINC000027075553 JG Annotated Mild CC(=O)OCCC/C(=C1/SC(=S)N(CC(=O)O)C1=O)c1ccc(Br)cc1 ZINC000027077842 JG Annotated Clean CC(=O)O[C@@H]1C2=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@H]3[C@H](C)[C@@H](O)CC[C@@]3(C)[C@H]1OC(C)=O)C2(C)C ZINC000027086688 JG Annotated Mild COC(=O)/C=C1/C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(COC(C)=O)CS[C@@H]12 ZINC000027100670 JG Annotated Anodyne C/C(=C\c1ncc(-c2cc([N+](=O)[O-])cs2)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000027181508 JG Annotated Bother C/C(=C\c1ncc(-c2ccc([N+](=O)[O-])s2)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000027181970 JG Annotated Bother C/C(=C\c1ncc(-c2csc([N+](=O)[O-])c2)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000027190888 JG Annotated Bother CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(NC[C@@H](O)CO)c1 ZINC000027194761 JG Annotated Clean CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(NC[C@H](O)CO)c1 ZINC000027194767 JG Annotated Clean CC[C@]12CCCN3C[C@@H](Br)[C@]4(C(=Nc5ccccc54)[C@](C(=O)OC)([N+](=O)[O-])C1)[C@@H]32 ZINC000027201330 JG Annotated Reactive COc1ccc([N+](=O)[O-])cc1C[C@]12C[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N3[C@H]1Nc1ccccc12 ZINC000027209813 JG Annotated Bother COc1ccc([N+](=O)[O-])cc1C[C@@]12C[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N3[C@@H]1Nc1ccccc12 ZINC000027212131 JG Annotated Bother C[C@H]1N(C(=O)c2ccc(OC(F)(F)F)cc2)CC(=O)O[C@@]1(Cn1cncn1)c1ccc(F)cc1F ZINC000027306032 JG Annotated Anodyne COc1ccc(C[S@@](=O)[C@@H]2CC(=O)O[C@@H](C)CCC/C=C/[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1 ZINC000027310126 JG Annotated Anodyne COc1ccc(C[S@](=O)[C@@H]2CC(=O)O[C@@H](C)CCC/C=C/[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1 ZINC000027310130 JG Annotated Anodyne CCN(c1ccccc1)c1nc(N)nc(NS(=O)(=O)c2cc(C)c(Cl)cc2S)n1 ZINC000027312572 JG Annotated Anodyne Cc1cc(-c2c(F)cc3c4nn(CCNCCO)c(=O)c-4cn(C4CC4)c3c2F)cc(C)n1 ZINC000027406591 JG Annotated Anodyne CC(=O)Oc1ccc(C(=O)NC[C@H]2CN(c3ccc(C4CCS(=O)CC4)c(F)c3)C(=O)O2)cc1 ZINC000027414988 JG Annotated Anodyne O=C1c2ccccc2C(=O)c2c(NC[C@@H](O)CCl)ccc(NC[C@@H](O)CNCc3ccccc3)c21 ZINC000027428622 JG Annotated Reactive O=C1c2ccccc2C(=O)c2c(NC[C@@H](O)CNCc3ccccc3)ccc(NC[C@H](O)CCl)c21 ZINC000027428627 JG Annotated Reactive O=C1c2ccccc2C(=O)c2c(NC[C@H](O)CNCc3ccccc3)ccc(NC[C@@H](O)CCl)c21 ZINC000027428632 JG Annotated Reactive O=C1c2ccccc2C(=O)c2c(NC[C@H](O)CNCc3ccccc3)ccc(NC[C@H](O)CCl)c21 ZINC000027428637 JG Annotated Reactive CN1CCN(C(=N)/C=C/c2ccc(-c3cn4cc(/C=C/C(=N)N5CCN(C)CC5)ccc4n3)cc2)CC1 ZINC000027436113 JG Annotated Anodyne COc1cc(C)c(/C=N/CCCNCCNCCC/N=C/c2c(C)cc(OC)cc2O)c(O)c1 ZINC000027437369 JG Annotated Mild COc1cc(O)c(/C=N/CCCNCCNCCC/N=C/c2cc(C)c(OC)cc2O)cc1C ZINC000027442412 JG Annotated Mild C[C@@H]1CC=C[C@@H]2[C@@H]3O[C@]3(C)[C@H](C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)OC=C[C@](C)(O)C1=O ZINC000271775369 JG Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H]3O[C@]3(C)[C@H](C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)OC=C[C@@](C)(O)C1=O ZINC000271775376 JG Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H]3O[C@]3(C)[C@H](C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@]23OC(=O)OC=C[C@](C)(O)C1=O ZINC000271775385 JG Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H]3O[C@]3(C)[C@H](C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@]23OC(=O)OC=C[C@@](C)(O)C1=O ZINC000271775394 JG Annotated Anodyne O=C(O)C1=CC(=NNc2ccc(-c3ccc(NN=C4C=CC(=O)C(C(=O)O)=C4)cc3)cc2)C=CC1=O ZINC000271778030 JG Annotated Mild CCCCNC(=O)c1c(OC)cc([C@@H]2OC(c3ccc(N)c(C)c3)=NN2C(C)=O)cc1OC ZINC000027518508 JG Annotated Anodyne CCCCNC(=O)c1c(OC)cc([C@H]2OC(c3ccc(N)c(C)c3)=NN2C(C)=O)cc1OC ZINC000027518509 JG Annotated Anodyne O=C(O)C[C@H]1c2ccccc2C(=O)N(CC(=O)NCCCNc2ccccn2)c2ccccc21 ZINC000027519050 JG Annotated Anodyne O=C(O)C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCCCNc2ccccn2)c2ccccc21 ZINC000027519051 JG Annotated Anodyne C/C(=C\c1ncc(N(C)c2ccccc2)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000027521217 JG Annotated Anodyne C/C(=C\c1ncc(C2SCCCS2)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000027521685 JG Annotated Anodyne C/C(=C\c1ncc(Oc2ccccc2)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000027523080 JG Annotated Anodyne COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(c3ccccc3)C(=O)O[C@@H]1C)C2=O ZINC000027525177 JG Annotated Anodyne COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(c3ccccc3)C(=O)O[C@H]1C)C2=O ZINC000027525179 JG Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CCC[C@@H](CO)C4)nc3c2)n1 ZINC000027527004 JG Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CCC[C@H](CO)C4)nc3c2)n1 ZINC000027527005 JG Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CC[C@@H](N(C)C)C4)nc3c2)n1 ZINC000027527051 JG Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CCC(CO)CC4)nc3c2)n1 ZINC000027527126 JG Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C=C(C(C)=O)C[C@@H]3O[C@@H]1C[C@@H](N)C[C@@H](C)O1 ZINC000027527160 JG Annotated Mild COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C=C(C(C)=O)C[C@@H]3O[C@H]1C[C@@H](N)C[C@@H](C)O1 ZINC000027527161 JG Annotated Mild COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C=C(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](N)C[C@@H](C)O1 ZINC000027527162 JG Annotated Mild COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C=C(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)C[C@@H](C)O1 ZINC000027527163 JG Annotated Mild CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CCCN(C)CC4)nc3c2)n1 ZINC000027546781 JG Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CCC(O)CC4)nc3c2)n1 ZINC000027547614 JG Annotated Anodyne CC(=O)N(C1=C(N(C)C)C(=O)c2ccccc2C1=O)c1ccc(I)cc1 ZINC000027548875 JG Annotated Mild CC(C)c1csc(CCc2ccn3c(=O)c(CCC(=O)O)c(N4CCC[C@@H](O)C4)nc3c2)n1 ZINC000027552663 JG Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(CCC(=O)O)c(N4CCC[C@H](O)C4)nc3c2)n1 ZINC000027552666 JG Annotated Anodyne C(=N/NC1=NCC2(CC2)CN1)\c1c2ccccc2c(/C=N/NC2=NCC3(CC3)CN2)c2ccccc12 ZINC000027558983 JG Annotated Mild C(=N/NC1=NCCCCN1)\c1c2ccccc2c(/C=N/NC2=NCCCCN2)c2ccccc12 ZINC000027559564 JG Annotated Mild Clc1ccc2c(/C=N/NC3=NCCCN3)c3ccccc3c(/C=N/NC3=NCCCN3)c2c1 ZINC000027560259 JG Annotated Mild CN1CCCN=C1N/N=C/c1c2ccccc2c(/C=N/NC2=NCCCN2C)c2ccccc12 ZINC000027560539 JG Annotated Mild CC(C)(C)c1ccc2c(/C=N/NC3=NCCN3)c3ccccc3c(/C=N/NC3=NCCN3)c2c1 ZINC000027564410 JG Annotated Mild CC1(C)CNC(N/N=C/c2c3ccccc3c(/C=N/NC3=NCC(C)(C)N3)c3ccccc23)=N1 ZINC000027564599 JG Annotated Mild COc1cc(C[C@@H]2CCOC2=O)c(-c2cc3c(cc2COC(C)=O)OCO3)c(OC)c1OC ZINC000027631101 JG Annotated Anodyne COc1cc(C[C@H]2CCOC2=O)c(-c2cc3c(cc2COC(C)=O)OCO3)c(OC)c1OC ZINC000027631105 JG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCCc3ccc(Br)cc32)cc1N1CCNCC1 ZINC000027640021 JG Annotated Anodyne C[C@H]1C[N+](C)(CC(=O)c2ccc(-c3ccc(C(=O)C[N+]4(C)CCO[C@H](C)C4)cc3)cc2)CCO1 ZINC000027648451 JG Annotated Mild C[C@H]1C[N+](C)(CC(=O)c2ccc(-c3ccc(C(=O)C[N+]4(C)CCO[C@@H](C)C4)cc3)cc2)CCO1 ZINC000027648456 JG Annotated Mild [N-]=[N+]=N[C@H]1C[C@H](COC(=O)c2ccccc2)S[C@@H]1n1ccc(=O)n(C(=O)c2ccccc2)c1=O ZINC000027655427 JG Annotated Clean [N-]=[N+]=N[C@H]1C[C@H](COC(=O)c2ccccc2)S[C@H]1n1ccc(=O)n(C(=O)c2ccccc2)c1=O ZINC000027706503 JG Annotated Clean COC1=C2C(=C[C@@H](OC)[C@H]1OC)CC[C@H](NC(=O)NCCCl)c1cc(=O)c(SC)ccc12 ZINC000027716886 JG Annotated Reactive COC1=C2C(=C[C@H](OC)[C@H]1OC)CC[C@H](NC(=O)NCCCl)c1cc(=O)c(SC)ccc12 ZINC000027716894 JG Annotated Reactive COC1=C2C(=C[C@@H](OC)[C@@H]1OC)CC[C@H](NC(=O)NCCCl)c1cc(=O)c(SC)ccc12 ZINC000027716900 JG Annotated Reactive COC1=C2C(=C[C@H](OC)[C@@H]1OC)CC[C@H](NC(=O)NCCCl)c1cc(=O)c(SC)ccc12 ZINC000027716907 JG Annotated Reactive COC1=C2C(=C[C@@H](OC)[C@H]1OC)CC[C@H](NC(=O)CCl)c1cc(=O)c(SC)ccc12 ZINC000027722447 JG Annotated Reactive COC1=C2C(=C[C@H](OC)[C@H]1OC)CC[C@H](NC(=O)CCl)c1cc(=O)c(SC)ccc12 ZINC000027722454 JG Annotated Reactive COC1=C2C(=C[C@@H](OC)[C@@H]1OC)CC[C@H](NC(=O)CCl)c1cc(=O)c(SC)ccc12 ZINC000027722459 JG Annotated Reactive COC1=C2C(=C[C@H](OC)[C@@H]1OC)CC[C@H](NC(=O)CCl)c1cc(=O)c(SC)ccc12 ZINC000027722466 JG Annotated Reactive Nc1ncnc2cc(CN3CCN(S(=O)(=O)c4cc5ccc(Cl)cc5s4)C(=O)C3)ccc12 ZINC000027732963 JG Annotated Anodyne CCN(CC)CCn1c(=O)c2ccc3c4c(nn3CCN(CC)CC)-c3ccccc3-n(c1=O)c24 ZINC000027747209 JG Annotated Anodyne CC(=O)Oc1cc2c(cc1OC(C)=O)[C@@H]1Cc3cc(OC(C)=O)c(OC(C)=O)cc3[C@H](C2)N1C(C)=O ZINC000027851647 JG Annotated Anodyne CC(=O)Oc1cc2c(cc1OC(C)=O)[C@H]1Cc3cc(OC(C)=O)c(OC(C)=O)cc3[C@@H](C2)N1C(C)=O ZINC000027851655 JG Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000027859692 JG Annotated Bother O[C@@H]1[C@@H](CI)O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1O ZINC000027879211 JG Annotated Reactive CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2c(=O)n(CC)c3ccccc32)CC1 ZINC000027885393 JG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2c(SC)ncc(C)c2=O)CC1 ZINC000027899001 JG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cc(I)cn2)CC1 ZINC000027980895 JG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCN2C=CC(=O)C(CC)(CC)C2=O)CC1 ZINC000027981964 JG Annotated Mild CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCN2C(=O)CCN2c2ccccc2)CC1 ZINC000027985619 JG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2c(=O)c3ccccc3n(CC)c2=O)CC1 ZINC000027987517 JG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CC(=O)c2ccc3nc(O)oc3c2)CC1 ZINC000027987522 JG Annotated Anodyne CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(=O)CCC[n+]2ccccc2)cc1 ZINC000027993975 JG Annotated Anodyne CN1CCC[C@@H](NC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000027996542 JG Annotated Anodyne CN1CCC[C@H](NC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000027996547 JG Annotated Anodyne CN1CCC(NC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027998355 JG Annotated Anodyne CN1CCC(NC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027998360 JG Annotated Anodyne COc1cc(CCN(C)CCOc2ccc(NS(C)(=O)=O)cc2Cl)c([N+](=O)[O-])cc1OC ZINC000027999078 JG Annotated Bother O=C(Oc1ccc[n+]([O-])c1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000028001549 JG Annotated Anodyne O=C(Oc1ccc[n+]([O-])c1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000028001553 JG Annotated Anodyne CC(=O)N1CCC[C@@H](C(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000028005393 JG Annotated Anodyne CC(=O)N1CCC[C@@H](C(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000028005399 JG Annotated Anodyne CC(=O)N1CCC[C@H](C(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000028005403 JG Annotated Anodyne COc1cc(N)c(CCN(C)CCOc2ccc(NS(C)(=O)=O)cc2-n2cccc2)cc1OC ZINC000028007111 JG Annotated Anodyne COc1cc2nc3c(c4c2c(c1OC)N(C(=O)CN1CCN(C)CC1)CC4)CCc1ccccc1-3 ZINC000028012396 JG Annotated Anodyne CCCSCC(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028014918 JG Annotated Anodyne N=C1N(C2CCCCC2)CCN1S(=O)(=O)c1ccc(CCNC(=S)NC2CCCC2)cc1 ZINC000028021281 JG Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](CN4CCOCC4)C2)[C@]13C(=O)O ZINC000028085631 JG Annotated Mild CCCC/N=C(\S)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028088321 JG Annotated Mild CCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000028091643 JG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC(C)=O)CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000028093034 JG Annotated Anodyne CCCCN(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028093112 JG Annotated Anodyne COC(=O)c1c(C)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)/C=C/c1ccc(OC)c(N(C)C)c1)C3=CC2=O ZINC000028094901 JG Annotated Mild N=C1N(C2CCCCC2)CCN1S(=O)(=O)c1ccc(CCNC(=O)c2cccs2)cc1 ZINC000028095300 JG Annotated Anodyne N=C1N(C2CCCCC2)CCN1S(=O)(=O)c1ccc(CCNC(=O)[C@H]2CC=CCC2)cc1 ZINC000028109750 JG Annotated Anodyne N=C1N(C2CCCCC2)CCN1S(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC=CCC2)cc1 ZINC000028109756 JG Annotated Anodyne C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@H](C(=O)[C@@H]1C(O)=NC(=O)C1(C)C)C(C)C)c1ccccc1 ZINC000028126897 JG Annotated Anodyne COc1ccc(-c2cc3c(c(=O)o2)C[C@@]2(O)[C@@]4(C)CCC(=O)OC(C)(C)[C@@]4(O)CC[C@@]2(C)O3)cc1 ZINC000028135388 JG Annotated Anodyne COc1ccc(N(/C=N/c2ccn([C@@H]3CS[C@@H](CO)O3)c(=O)n2)c2ccc(OC)cc2)cc1 ZINC000028217917 JG Annotated Mild COc1ccc(N(/C=N/c2ccn([C@H]3CS[C@@H](CO)O3)c(=O)n2)c2ccc(OC)cc2)cc1 ZINC000028217920 JG Annotated Mild COc1ccc(N(/C=N/c2ccn([C@@H]3CS[C@H](CO)O3)c(=O)n2)c2ccc(OC)cc2)cc1 ZINC000028217923 JG Annotated Mild COc1ccc(N(/C=N/c2ccn([C@H]3CS[C@H](CO)O3)c(=O)n2)c2ccc(OC)cc2)cc1 ZINC000028217926 JG Annotated Mild COc1ccc(-c2nc(C(=O)N3CCN[C@@H](CCO)C3)sc2-c2ccc(OC)cc2)cc1 ZINC000028218375 JG Annotated Anodyne COc1ccc(-c2nc(C(=O)N3CCN[C@H](CCO)C3)sc2-c2ccc(OC)cc2)cc1 ZINC000028218380 JG Annotated Anodyne Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)N[C@@H](C(=O)O)[C@@H](C)O)CCCC3)cc2)c1 ZINC000028219778 JG Annotated Anodyne Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)N[C@@H](C(=O)O)[C@H](C)O)CCCC3)cc2)c1 ZINC000028219783 JG Annotated Anodyne CCN(CC)C(=O)c1cc(=O)c(C)c2oc3c(C)c(O)c(N)c(C(=O)N(CC)CC)c3nc1-2 ZINC000028226678 JG Annotated Bother O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)NNC(=S)NCc1ccco1 ZINC000028229468 JG Annotated Reactive O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1ccc(O)c(O)c1O ZINC000028230672 JG Annotated Reactive CCCCn1c(=O)c2c(ncn2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)n(CCCC)c1=O ZINC000028232281 JG Annotated Anodyne CC(C)OC(=O)CN(CCN(CC(=O)OC(C)C)Cc1ccccc1O)Cc1ccccc1O ZINC000028239486 JG Annotated Clean Cn1c(C(=O)NNC(=S)Nc2ccccc2F)cc(Br)c1Br ZINC000028280022 JG Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN1CCN(Cc2cccnc2)CC1 ZINC000028332533 JG Annotated Anodyne O=c1[nH]c(NCc2ccc(Cl)c(Cl)c2)nc2ncn(CCCCN3CCOCC3)c12 ZINC000028338482 JG Annotated Anodyne O=C(C1CC1)N(CCCN1CCN(CCC/N=C2\C=CN[C@H]3C=C(Cl)C=C[C@@H]23)CC1)CC1CC1 ZINC000028343771 JG Annotated Mild O=C(C1CC1)N(CCCN1CCN(CCC/N=C2\C=CN[C@@H]3C=C(Cl)C=C[C@@H]23)CC1)CC1CC1 ZINC000028343779 JG Annotated Mild O=C(C1CC1)N(CCCN1CCN(CCC/N=C2\C=CN[C@H]3C=C(Cl)C=C[C@H]23)CC1)CC1CC1 ZINC000028343787 JG Annotated Mild O=C(C1CC1)N(CCCN1CCN(CCC/N=C2\C=CN[C@@H]3C=C(Cl)C=C[C@H]23)CC1)CC1CC1 ZINC000028343795 JG Annotated Mild NN(C=S)C[C@H]1CN(c2ccc(N3CCN(c4cccc(Cl)c4)CC3)c(F)c2)C(=O)O1 ZINC000028345469 JG Annotated Anodyne COc1ccc(-c2cc3c(c(=O)o2)C[C@@]2(O)[C@@]4(C)C=CC(=O)C(C)(C)[C@@]4(O)CC[C@@]2(C)O3)cc1 ZINC000028349227 JG Annotated Mild COc1ccc(-c2csc3nc(SCC(=O)NN)n(-c4cccc(F)c4)c(=O)c23)cc1 ZINC000028349509 JG Annotated Reactive COc1cccc(-c2csc3nc(SCC(=O)NN)n(-c4cccc(F)c4)c(=O)c23)c1 ZINC000028351178 JG Annotated Reactive COc1cccc(N2CCN(c3ccc(N4C[C@H](CN(C=S)OC)OC4=O)cc3F)CC2)c1 ZINC000028352020 JG Annotated Anodyne C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC[C@@]1(CO1)[C@H]2C/C=C1/C(=O)OC[C@H]1OC(=O)/C=C/c1ccccc1 ZINC000028352797 JG Annotated Anodyne COc1ccccc1-c1csc2nc(SCC(=O)NN)n(-c3cccc(F)c3)c(=O)c12 ZINC000028355237 JG Annotated Reactive C=C(C)CN([C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccc1 ZINC000028355303 JG Annotated Mild C=C(C)CN([C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccc1 ZINC000028355310 JG Annotated Mild NN(C=S)C[C@H]1CN(c2ccc(N3CCN(c4ccc(Cl)cc4)CC3)c(F)c2)C(=O)O1 ZINC000028360179 JG Annotated Anodyne O=c1[nH]c(NCCCNCc2cc(Br)cc(Br)c2)nc2c1CCC2 ZINC000028360998 JG Annotated Anodyne ClC1=C[C@@H]2NC=C/C(=N\CCCN3CCN(CCCN(CC4CC4)N4CCCC4)CC3)[C@@H]2C=C1 ZINC000028362242 JG Annotated Mild ClC1=C[C@H]2NC=C/C(=N\CCCN3CCN(CCCN(CC4CC4)N4CCCC4)CC3)[C@@H]2C=C1 ZINC000028362250 JG Annotated Mild Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CSC[C@@H]2C(=O)NCCCCC(=O)O)cc1 ZINC000028363081 JG Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CSC[C@H]2C(=O)NCCCCC(=O)O)cc1 ZINC000028363089 JG Annotated Anodyne CSN(C=S)C[C@H]1CN(c2ccc(N3CCN(c4ccccn4)CC3)c(F)c2)C(=O)O1 ZINC000028364266 JG Annotated Anodyne NN(C=S)C[C@H]1CN(c2ccc(N3CCN(c4ccccc4Cl)CC3)c(F)c2)C(=O)O1 ZINC000028366243 JG Annotated Anodyne O=C1O[C@@H](CO[n+]2ccco2)CN1c1ccc(N2CCN(c3ccccc3Cl)CC2)c(F)c1 ZINC000028367029 JG Annotated Anodyne COc1ccc([C@H](CC(=O)O)N2CCN(CCCc3nc4c(cc3C)CCCN4)C2=O)cn1 ZINC000028372304 JG Annotated Anodyne COc1ccc2c(C(=O)N[C@@H](CC(=O)O)C(=O)O)c(Br)ccc2c1C(F)(F)F ZINC000028376162 JG Annotated Anodyne COc1ccc2c(C(=O)N[C@H](CC(=O)O)C(=O)O)c(Br)ccc2c1C(F)(F)F ZINC000028376169 JG Annotated Anodyne COc1ccc([C@H](CC(=O)O)N2CCN(CCCc3ccc4c(n3)N[C@@H](C)CC4)C2=O)cn1 ZINC000028376295 JG Annotated Anodyne CCC(=O)O[C@@H]1COC(=O)/C1=C/C[C@@H]1[C@@]2(CC[C@H]3[C@@]1(C)CC[C@@H](OC(=O)CC)[C@@]3(C)CO)CO2 ZINC000028382490 JG Annotated Anodyne O=C(O)C[C@H](c1ccc2c(c1)OCO2)C1CCN(C(=O)Cc2ccc3c(n2)NCCC3)CC1 ZINC000028383131 JG Annotated Anodyne O=C(O)C[C@@H](c1ccc2c(c1)OCO2)C1CCN(C(=O)Cc2ccc3c(n2)NCCC3)CC1 ZINC000028383137 JG Annotated Anodyne COc1c(N2C[C@@H]3CCCN(C)[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 ZINC000028393371 JG Annotated Anodyne COc1c(N2C[C@@H]3[C@H](CCCN3C)C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 ZINC000028393377 JG Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)NCCCNc2nc(C(=O)c3ccccc3C)cs2)c1 ZINC000028457144 JG Annotated Anodyne O=C(c1cccs1)N1CCc2cc(S(=O)(=O)N3C[C@H](c4ccccc4)NC3=O)ccc21 ZINC000028457857 JG Annotated Anodyne O=C(CNc1ccccc1)N1CCc2cc(S(=O)(=O)N3C[C@H](c4ccccc4)NC3=O)ccc21 ZINC000028458262 JG Annotated Anodyne O=C(Cc1cccs1)N1CCc2cc(S(=O)(=O)N3C[C@H](c4ccccc4)NC3=O)ccc21 ZINC000028458277 JG Annotated Anodyne COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)[C@@H]4CCN(C)C4)C3)cc2)cc1 ZINC000028460317 JG Annotated Anodyne Nc1cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3)c2cc1N1CCN(c2ccccn2)CC1 ZINC000028463822 JG Annotated Anodyne C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)OCCN4CCCCC4)cn1c23 ZINC000028467530 JG Annotated Anodyne CCOC(=O)C[C@@H](NC(=O)c1cccc(COc2cc(O)c(C(C)=O)cc2CC)c1)C(=O)OCC ZINC000028469493 JG Annotated Anodyne CCOC(=O)C[C@H](NC(=O)c1cccc(COc2cc(O)c(C(C)=O)cc2CC)c1)C(=O)OCC ZINC000028469496 JG Annotated Anodyne O=C(O)c1cc(F)c(N(CCI)CCI)c(F)c1F ZINC000028472698 JG Annotated Reactive O=C(O)c1cc(F)c(N(CCI)CCI)c(F)c1 ZINC000028472902 JG Annotated Reactive C[C@@H](O)C(=O)N/C(=C\c1ccc(Oc2ccccc2I)cc1)C(=O)O ZINC000028477538 JG Annotated Anodyne C[C@H](O)C(=O)N/C(=C\c1ccc(Oc2ccccc2I)cc1)C(=O)O ZINC000028477541 JG Annotated Anodyne O=C(O)CCC(=O)N/C(=C\c1ccc(Oc2ccccc2I)cc1)C(=O)O ZINC000028477617 JG Annotated Anodyne O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2OCc2nnn[nH]2)c1CCO ZINC000028522370 JG Annotated Anodyne COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CS(C)(=O)=O)cc1 ZINC000028523129 JG Annotated Anodyne O=c1c(CCO)c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2n1Cc1nnn[nH]1 ZINC000028523351 JG Annotated Anodyne O=C1O[C@@H](CNC(=S)OCC(F)(F)F)CN1c1ccc(-n2nnc3ccccc32)c(F)c1 ZINC000028524259 JG Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000028525152 JG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CC[C@H](N(C)c4ccc([N+](=O)[O-])o4)[C@H](C)C3)c(F)c2)C(=O)O1 ZINC000028525806 JG Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(N3CC[C@H](N(C)c4ccc([N+](=O)[O-])o4)[C@@H](C)C3)c(F)c2)C(=O)O1 ZINC000028525807 JG Annotated Bother N=C(N)COc1cccc(CN2C[C@@H]3[C@@H](NC(=O)c4ccc(Cl)s4)C=CC[C@H]3C2=O)c1 ZINC000028526975 JG Annotated Anodyne N=C(N)COc1cccc(CN2C[C@H]3[C@@H](NC(=O)c4ccc(Cl)s4)C=CC[C@H]3C2=O)c1 ZINC000028526977 JG Annotated Anodyne CCNC(=O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCC[C@@H]1CCSS1)C(C)C)c1ccccc1 ZINC000028529142 JG Annotated Reactive CCNC(=O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCC[C@H]1CCSS1)C(C)C)c1ccccc1 ZINC000028529144 JG Annotated Reactive CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6ccsc56)CC4)c(=O)c23)C1 ZINC000028530464 JG Annotated Anodyne CC[C@@H]1O[C@@]2(C)[C@@H](O)[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)O[C@]1(C)[C@@H]2OC(C)=O ZINC000028539450 JG Annotated Anodyne CC[C@H]1O[C@@]2(C)[C@@H](O)[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)O[C@]1(C)[C@@H]2OC(C)=O ZINC000028539456 JG Annotated Anodyne CC[C@@H]1O[C@@]2(C)[C@@H](O)[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)O[C@]1(C)[C@H]2OC(C)=O ZINC000028539459 JG Annotated Anodyne CC[C@H]1O[C@@]2(C)[C@@H](O)[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)O[C@]1(C)[C@H]2OC(C)=O ZINC000028539463 JG Annotated Anodyne in-vivo CCOc1cc(OCC)n2s/c(=N\C(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc2n1 ZINC000028565201 JG Annotated Bother CC(C)(C)c1nc(N2CCN(CCCCn3ccc(N4CCC4)nc3=O)CC2)cc(C(F)(F)F)n1 ZINC000028566496 JG Annotated Anodyne COc1c(C)c(C)c2c(c1C)CC[C@](C)(C(=O)N1CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC1)O2 ZINC000028566829 JG Annotated Clean COc1c(C)c(C)c2c(c1C)CC[C@@](C)(C(=O)N1CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC1)O2 ZINC000028566831 JG Annotated Clean CC(C)(C)c1nc(N2CCN(CCCCN3CCC(=O)CCC3=O)CC2)cc(C(F)(F)F)n1 ZINC000028568190 JG Annotated Anodyne COc1ccnc(NCCCCc2noc(C[C@@H](CC(=O)O)c3ccc4c(c3)OCO4)n2)c1 ZINC000028568855 JG Annotated Anodyne CS(=O)(=O)N1CCC([C@H]2c3ccc(Cl)cc3C(N3CCNCC3)=Cc3cccnc32)CC1 ZINC000028568886 JG Annotated Anodyne in-vivo CS(=O)(=O)N1CCC([C@H]2c3ccc(Cl)cc3C=C(N3CCNCC3)c3cccnc32)CC1 ZINC000028568962 JG Annotated Anodyne CCOc1ccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)n1 ZINC000028569167 JG Annotated Anodyne Cc1ccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)n1 ZINC000028569176 JG Annotated Anodyne CN1CCNc2nc(CCCc3noc(C[C@@H](CC(=O)O)c4ccc5c(c4)OCO5)n3)ccc21 ZINC000028569673 JG Annotated Anodyne CN1CCNc2nc(CCCc3noc(C[C@H](CC(=O)O)c4ccc5c(c4)OCO5)n3)ccc21 ZINC000028569674 JG Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(C/C(O)=N/S(C)(=O)=O)c3ccccc32)nc2ccccc21 ZINC000028569972 JG Annotated Mild CS(=O)(=O)N1CCC([C@@H]2c3ccc(Cl)cc3C=C(N3CCNCC3)c3cccnc32)CC1 ZINC000028570507 JG Annotated Anodyne CS(=O)(=O)N1CCC([C@@H]2c3ccc(Cl)cc3C(N3CCNCC3)=Cc3cccnc32)CC1 ZINC000028570513 JG Annotated Anodyne COc1cc2c(c(Cl)c1Cl)C(=O)[C@](CCN(C)[C@@H](CO)C(=O)O)(c1ccccc1)C2=O ZINC000028571017 JG Annotated Clean COc1cc2c(c(Cl)c1Cl)C(=O)[C@@](CCN(C)[C@@H](CO)C(=O)O)(c1ccccc1)C2=O ZINC000028571018 JG Annotated Clean Cc1c(C(=O)O[C@H](C)C(C)(C)C)cn2c1C(=O)N(CCCN(C)C(=O)c1ccncc1)CC2 ZINC000028571076 JG Annotated Anodyne Cc1c(C(=O)O[C@@H](C)C(C)(C)C)cn2c1C(=O)N(CCCN(C)C(=O)c1ccncc1)CC2 ZINC000028571077 JG Annotated Anodyne CC1(C)C(=O)N(C2[C@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)C[C@@H]1COc1ccc(-n2ccnc2)cc1 ZINC000028604037 JG Annotated Anodyne CC1(C)C(=O)N(C2[C@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)C[C@H]1COc1ccc(-n2ccnc2)cc1 ZINC000028604038 JG Annotated Anodyne CN(C)CC(=O)Nc1cc(O)c(Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)cc1Cl ZINC000028604430 JG Annotated Clean COc1ccc2c(c1N)C(=O)O[C@@H]2[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CCN1C ZINC000028637133 JG Annotated Anodyne CN(C)CCOc1ccc(CCN2C=CC=C3C2=Nc2ccccc2S(=O)(=O)N3C)cc1 ZINC000028637533 JG Annotated Anodyne COc1cc(CCN2C=CC=C3C2=Nc2ccccc2S(=O)(=O)N3C)cc(OC)c1OC ZINC000028639007 JG Annotated Anodyne COC(=O)c1nc(-c2ccc3c(n2)C(=O)C(NC(=O)CCl)=CC3=O)c2[nH]c3ccccc3c2c1C ZINC000028639810 JG Annotated Reactive COc1cc(N(C)CCCNC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)c2nc(C(C)(C)C)ccc2c1 ZINC000028641219 JG Annotated Anodyne COc1cc(N(C)CCCNC(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)c2nc(C(C)(C)C)ccc2c1 ZINC000028641221 JG Annotated Anodyne COc1cc(N(C)CCCN(C)C)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1 ZINC000028641905 JG Annotated Anodyne CCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC(C)=O)=CC3=O)n1 ZINC000028642349 JG Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@@]2(C)C(=O)[C@](CCC(=O)N(CC)CC)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028643279 JG Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@@]2(C)C(=O)[C@](CCC(=O)N(CC)CC)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028643283 JG Annotated Mild C=Cc1cn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(=O)[nH]c1=O ZINC000028644589 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]2CC3)C1 ZINC000028644688 JG Annotated Anodyne C=C=Cc1cn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(=O)[nH]c1=O ZINC000028644891 JG Annotated Anodyne COc1cc(-c2nnc(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC ZINC000028648964 JG Annotated Bother Cc1ccc(NC(=S)N/N=C2\C(=O)N(CN3CCCCC3)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000028651565 JG Annotated Mild O=C(c1ccccc1Cl)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000028653091 JG Annotated Anodyne O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000028653095 JG Annotated Anodyne CC(C)O[C@@H]1C=C([C@H](O)c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000028656171 JG Annotated Mild CC(C)O[C@@H]1C=C([C@H](O)c2ccc(C#N)cc2)C(=O)[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000028656175 JG Annotated Mild CC(C)O[C@@H]1C=C([C@H](O)c2ccc(F)cc2)C(=O)[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000028656179 JG Annotated Mild COc1cc(NC(C)=O)c(I)cc1C(=O)NCCCCN(C)C(C)C ZINC000028702482 JG Annotated Anodyne COc1cc(NC(C)=O)c(I)cc1C(=O)NCCCCN1C[C@H]2CC[C@@H]1C2 ZINC000028702581 JG Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3ccc5c(c3)NC(=O)CS5)C4)c2n1 ZINC000028703216 JG Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3ccc5c(c3)NC(=O)CS5)C4)c2n1 ZINC000028703218 JG Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CCN(C(=O)c3ccc5c(c3)NC(=O)CS5)CC4)c2n1 ZINC000028703224 JG Annotated Anodyne CC(=O)OC[C@H]1CN(c2ccc(N3CCN(c4ccc([N+](=O)[O-])s4)CC3)c(F)c2)C(=O)O1 ZINC000028706955 JG Annotated Bother CN(C)[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC/C1=N\OCc1ccccc1 ZINC000028708643 JG Annotated Mild CN(C)[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC/C1=N\OCc1ccccc1 ZINC000028708645 JG Annotated Mild CN(C)C(=O)C(=O)c1c[nH]c2ccc(C(=O)N3CCc4c(cnn4-c4ccccc4Cl)C3)cc12 ZINC000028708671 JG Annotated Anodyne Cc1ccc(O)c(Cn2c(NC3CCN(CCN4CCOCC4)CC3)nc3c(C)cccc32)n1 ZINC000028710368 JG Annotated Anodyne Cc1cn(CC(=O)c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)c(C)n1 ZINC000028711457 JG Annotated Anodyne CCc1nccn1CC(=O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 ZINC000028711459 JG Annotated Anodyne Cc1cnc(C)n1CC(=O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 ZINC000028711460 JG Annotated Anodyne O=C(CC1CCNCC1)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 ZINC000028711463 JG Annotated Anodyne COC(=O)C1=CC(/C(=C\CCc2nnn(C)n2)c2cc(C)c(OC)c(C(=O)OC)c2)=C[C@H](C)[C@H]1OC ZINC000028711651 JG Annotated Anodyne COC(=O)C1=CC(/C(=C\CCc2nnn(C)n2)c2cc(C)c(OC)c(C(=O)OC)c2)=C[C@H](C)[C@@H]1OC ZINC000028711652 JG Annotated Anodyne COC(=O)C1=CC(/C(=C\CCc2nnn(C)n2)c2cc(C)c(OC)c(C(=O)OC)c2)=C[C@@H](C)[C@H]1OC ZINC000028711653 JG Annotated Anodyne COC(=O)C1=CC(/C(=C\CCc2nnn(C)n2)c2cc(C)c(OC)c(C(=O)OC)c2)=C[C@@H](C)[C@@H]1OC ZINC000028711654 JG Annotated Anodyne CN(C)CCN1C(=O)c2cccc3cc(NC(=O)NC(=O)C(Cl)(Cl)Cl)cc(c23)C1=O ZINC000028712243 JG Annotated Anodyne CN(C)CCN1C(=O)c2cccc3cc(/N=C\c4cc5c(cc4[N+](=O)[O-])OCO5)cc(c23)C1=O ZINC000028712270 JG Annotated Mild CN(C)CCN1C(=O)c2cccc3cc(NCc4cc5c(cc4[N+](=O)[O-])OCO5)cc(c23)C1=O ZINC000028712276 JG Annotated Bother Cc1ccc(/C(CN2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn5c4c3OC[C@@H]5C)CC2)=N/O)cc1 ZINC000028712707 JG Annotated Mild C=CCN/C(=N/S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)c(Cl)cc1SC)NN ZINC000028712894 JG Annotated Mild C=CCN/C(=N/S(=O)(=O)c1cc(C)c(Cl)cc1SC)N/N=C/c1ccc([N+](=O)[O-])o1 ZINC000028712899 JG Annotated Mild COc1ccc([C@@H]2CC(=O)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2C(=O)CN2CCOCC2)cc1 ZINC000028712956 JG Annotated Anodyne COc1ccc([C@@H]2[C@H](C)C(=O)C[C@H](c3ccc(OC)cc3)N2C(=O)CN2CCOCC2)cc1 ZINC000028712957 JG Annotated Anodyne COc1ccc([C@@H]2CC(=O)[C@H](C)[C@@H](c3ccc(OC)cc3)N2C(=O)CN2CCOCC2)cc1 ZINC000028712958 JG Annotated Anodyne COc1ccc([C@@H]2[C@@H](C)C(=O)C[C@H](c3ccc(OC)cc3)N2C(=O)CN2CCOCC2)cc1 ZINC000028712959 JG Annotated Anodyne CCN1C(=O)c2c(nc(OC)n2Cc2ccc(OC)c(Br)c2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000028755351 JG Annotated Anodyne N=C(N)SCCCOc1oc(=O)c2cc(NC(=O)[C@H](N)Cc3ccccc3)ccc2c1Cl ZINC000028757779 JG Annotated Anodyne COc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)C(=O)C=CC(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc1 ZINC000028758971 JG Annotated Mild in-vitro CCN(CC)CCNc1ccc2c3c(nn2C[C@@H](O)CN(CC)CC)-c2c(O)ccc(O)c2C(=O)c13 ZINC000028759355 JG Annotated Clean CCN(CC)CCNc1ccc2c3c(nn2C[C@H](O)CN(CC)CC)-c2c(O)ccc(O)c2C(=O)c13 ZINC000028759357 JG Annotated Clean N=C(N)SCCCOc1oc(=O)c2cc(NC(=O)[C@@H](N)Cc3ccccc3)ccc2c1Cl ZINC000028759486 JG Annotated Anodyne CC(C)C[C@H](NC(=O)c1ccc(C(=O)N(CC(C)C)[C@@H](C)C(=O)O)cc1OC(C)C)C(=O)O ZINC000028770715 JG Annotated Anodyne CC(C)C[C@H](NC(=O)c1ccc(C(=O)N(CC(C)C)[C@H](C)C(=O)O)cc1OC(C)C)C(=O)O ZINC000028770716 JG Annotated Anodyne N#CCSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccc(Cl)cc1 ZINC000028815460 JG Annotated Reactive CCS(=O)(=O)N(Cc1ccccc1F)[C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815805 JG Annotated Mild CCS(=O)(=O)N(Cc1ccccc1F)[C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815807 JG Annotated Mild Cc1cc(C(=O)N(CC(=O)OC(C)(C)C)[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)no1 ZINC000028815930 JG Annotated Mild Cc1cc(C(=O)N(CC(=O)OC(C)(C)C)[C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)no1 ZINC000028815932 JG Annotated Mild Cn1cncc1CN1C[C@@H](N(Cc2ccccc2F)C(=O)c2c[nH]cn2)Cc2cc(C#N)ccc21 ZINC000028815972 JG Annotated Mild Cn1cncc1CN1C[C@H](N(Cc2ccccc2F)C(=O)c2c[nH]cn2)Cc2cc(C#N)ccc21 ZINC000028815974 JG Annotated Mild CN([C@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)cn2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028815996 JG Annotated Anodyne CN([C@@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)cn2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028815998 JG Annotated Anodyne CCN([C@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)cn2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028816004 JG Annotated Anodyne CCN([C@@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)cn2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028816006 JG Annotated Anodyne Cn1cnc(CN2C[C@@H](NS(=O)(=O)c3ccccn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816043 JG Annotated Anodyne Cn1cnc(CN2C[C@H](NS(=O)(=O)c3ccccn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816045 JG Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3ccc5c(c3)OCCO5)C4)c2c1 ZINC000028817425 JG Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3ccc5c(c3)OCCO5)C4)c2c1 ZINC000028817426 JG Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3ccc5c(c3)NC(=O)CO5)C4)c2c1 ZINC000028817452 JG Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3ccc5c(c3)NC(=O)CO5)C4)c2c1 ZINC000028817454 JG Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)C4)c2n1 ZINC000028817533 JG Annotated Bother COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)C4)c2n1 ZINC000028817534 JG Annotated Bother N#C[C@]1(NC(=O)[C@@H](CC(=O)N2CCOCC2)CC2CCCCC2)CCN(CC2CCCCC2)C1 ZINC000028817770 JG Annotated Mild N#C[C@@]1(NC(=O)[C@@H](CC(=O)N2CCOCC2)CC2Cc3ccccc3C2)CCN(C2CCCCC2)C1 ZINC000028817781 JG Annotated Mild CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1C(=O)O)N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000028817905 JG Annotated Anodyne CC(C)S(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21 ZINC000028821049 JG Annotated Anodyne C[C@H](Nc1nc(-n2cnc3ccncc32)nc2c1cc(C(=O)N1CCN(C)CC1)n2C)c1ccccc1 ZINC000028822399 JG Annotated Anodyne C[C@H](Nc1nc(-n2cnc3ccncc32)nc2c1cc(C(=O)NCCN(C)C)n2C)c1ccccc1 ZINC000028822404 JG Annotated Anodyne C[C@H](Nc1nc(-n2cnc3ccncc32)nc2c1cc(/C(O)=N/S(C)(=O)=O)n2C)c1ccccc1 ZINC000028822406 JG Annotated Mild COCCNC(=O)c1cc2c(N[C@@H](C)c3ccccc3)nc(-n3cnc4ccncc43)nc2n1C ZINC000028822412 JG Annotated Anodyne C[C@@H](Nc1nc(-n2cnc3ccncc32)nc2c1cc(C(=O)N1CCN(C)CC1)n2C)c1ccccc1 ZINC000028822418 JG Annotated Anodyne Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(Br)c3)c(O)c(=O)c2c1 ZINC000028822453 JG Annotated Anodyne CCCCOc1c(OC)c(OC)cc2c1C(=O)[C@]1(OC)C=C[C@H]2N(C(=O)OC)N1C(=O)OC ZINC000028823723 JG Annotated Anodyne COC(=O)N1[C@@H]2C=C[C@@](OC)(C(=O)c3c2cc(OC)c(OC)c3OCc2ccccc2)N1C(=O)OC ZINC000028823724 JG Annotated Anodyne CCOC(=O)N1[C@@H]2C=C[C@@](OC)(C(=O)c3c2cc(OC)c(OC)c3OCC)N1C(=O)OCC ZINC000028823729 JG Annotated Anodyne CCCOc1c(OC)c(OC)cc2c1C(=O)[C@]1(OC)C=C[C@H]2N(C(=O)OCC)N1C(=O)OCC ZINC000028823730 JG Annotated Anodyne CC(C)N1CCCCc2cccc(c2)C[C@@](C)(N)C(=O)OCc2cc1nc(N(C)S(C)(=O)=O)c2 ZINC000028824411 JG Annotated Anodyne NCc1ccc2c(c1)nc(Cn1c(=O)n(CC(F)(F)F)c(=O)c3ccccc31)n2CCCCF ZINC000028824482 JG Annotated Anodyne CC(C)n1nc(C(=O)NN/C(=C/CC(=O)O)c2ccc(Br)cc2)c2ccccc2c1=O ZINC000028826006 JG Annotated Reactive COC(=O)[C@H]1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000028826181 JG Annotated Anodyne COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000028826193 JG Annotated Anodyne C[C@@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2c(F)c(F)c(F)c(F)c12 ZINC000028826950 JG Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@@H](C)N2CCOCC2)s1 ZINC000028827411 JG Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@H](C)N2CCOCC2)s1 ZINC000028827412 JG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN([C@H](C)c4ccc([N+](=O)[O-])s4)CC3)c(F)c2)C(=O)O1 ZINC000028861892 JG Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(N3CCN([C@@H](C)c4ccc([N+](=O)[O-])s4)CC3)c(F)c2)C(=O)O1 ZINC000028861894 JG Annotated Bother CN1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@@H]1c1ccccc1 ZINC000028867527 JG Annotated Bother CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCC(N4CCCCC4)CC3)nc21 ZINC000028868091 JG Annotated Bother O=C(O)c1cn(C2CC2)c2nc(N3CCC(O)(c4ccc(Cl)cc4)CC3)c([N+](=O)[O-])cc2c1=O ZINC000028868102 JG Annotated Bother CCCN(C(=O)CC(=O)O)C1=C(C)C[C@@H](c2ccccc2)N(Cc2ccc(C(=N)N)cc2)C1=O ZINC000028869557 JG Annotated Anodyne CCCN(C(=O)CC(=O)O)C1=C(C)C[C@H](c2ccccc2)N(Cc2ccc(C(=N)N)cc2)C1=O ZINC000028869561 JG Annotated Anodyne CCCN(C(=O)[C@@H](CC(=O)O)C(=O)O)C1=C(C)C[C@@H](c2ccccc2)N(Cc2ccc(N)cc2)C1=O ZINC000028869615 JG Annotated Clean CCCN(C(=O)[C@H](CC(=O)O)C(=O)O)C1=C(C)C[C@@H](c2ccccc2)N(Cc2ccc(N)cc2)C1=O ZINC000028869619 JG Annotated Clean CCCN(C(=O)[C@@H](CC(=O)O)C(=O)O)C1=C(C)C[C@H](c2ccccc2)N(Cc2ccc(N)cc2)C1=O ZINC000028869622 JG Annotated Clean CCCN(C(=O)[C@H](CC(=O)O)C(=O)O)C1=C(C)C[C@H](c2ccccc2)N(Cc2ccc(N)cc2)C1=O ZINC000028869626 JG Annotated Clean CN(C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@]2(C)[C@@H](c5cccc6ccncc56)[C@@H](O)C[C@@H]42)C=C3[C@@H](O)[C@@H]1O ZINC000028872506 JG Annotated Anodyne CCN(CC)/[N+]([O-])=N\OCOC(=O)/C(=C/c1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000028872670 JG Annotated Clean CS(=O)(=O)c1ccc(/C=C(/C(=O)OCO/N=[N+](/[O-])N2CCCC2)c2ccc(F)cc2)cc1 ZINC000028872672 JG Annotated Clean O=[N+]([O-])c1ccccc1CO[C@H](c1cccc(I)c1)[C@@H]1CNCCO1 ZINC000028881238 JG Annotated Bother O=[N+]([O-])c1ccccc1CO[C@@H](c1cccc(I)c1)[C@@H]1CNCCO1 ZINC000028881245 JG Annotated Bother O=[N+]([O-])c1ccccc1CO[C@H](c1cccc(I)c1)[C@H]1CNCCO1 ZINC000028881251 JG Annotated Bother O=[N+]([O-])c1ccccc1CO[C@@H](c1cccc(I)c1)[C@H]1CNCCO1 ZINC000028881257 JG Annotated Bother COc1cc2cncc(Cc3nc4c([nH]3)c(=O)n(C)c(=O)n4CC3CCCCC3)c2cc1OC ZINC000028881987 JG Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@H](c3ccccc3OC)C23C(=O)OC(C)(C)OC3=O)cc1O ZINC000028893332 JG Annotated Anodyne COc1cc(Cl)c(Cl)cc1C[C@@H]1CNC(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000028894399 JG Annotated Anodyne COc1cc(Cl)c(Cl)cc1C[C@H]1CNC(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000028894404 JG Annotated Anodyne CS(=O)(=O)Cc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 ZINC000028897274 JG Annotated Anodyne O=C(NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccno4)n[nH]c2-3)C(=O)O1)c1cccnc1 ZINC000028949361 JG Annotated Anodyne CCCN(c1cc2cc(c1)C(=O)N[C@@H](C)CCc1cccc(c1)C[C@@](C)(N)COC2)S(C)(=O)=O ZINC000028949993 JG Annotated Anodyne C#C[C@H]1CCc2cccc(c2)C[C@@](C)(N)COCc2cc(cc(N(CCC)S(C)(=O)=O)c2)C(=O)N1 ZINC000028950017 JG Annotated Mild CCN(CC)CCCNc1n[nH]c2c1CCCc1cc(N3C[C@H](CNC(C)=O)OC3=O)ccc1-2 ZINC000028950291 JG Annotated Anodyne COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5nsnc45)CC3)CN(C)[C@@H]1C2 ZINC000028950346 JG Annotated Anodyne C=CCNC(=O)C1(N(CCCn2ccnc2)C(=O)c2cccnc2)CCN(Cc2ccccc2)CC1 ZINC000028953313 JG Annotated Mild C=CCNC(=O)[C@]1(N(CCCn2ccnc2)C(=O)c2cccnc2)CCCc2cc(OC)ccc21 ZINC000028953446 JG Annotated Mild C=CCNC(=O)[C@@]1(N(CCCn2ccnc2)C(=O)c2cccnc2)CCCc2cc(OC)ccc21 ZINC000028953448 JG Annotated Mild CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@@]3(Cc3ccccc3)C2)cc1 ZINC000028953708 JG Annotated Mild CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@]3(Cc3ccccc3)C2)cc1 ZINC000028953710 JG Annotated Mild COc1cc2cc(OC)c1OCCOCCOc1ccc(cc1)[C@@H](OC(C)=O)[C@H]2OC(C)=O ZINC000028954121 JG Annotated Anodyne COc1cc2cc(OC)c1OCCOCCOc1ccc(cc1)[C@H](OC(C)=O)[C@H]2OC(C)=O ZINC000028954126 JG Annotated Anodyne O=C(C1CCN(c2ccncc2)CC1)N1CC[C@@H](CNS(=O)(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000028955946 JG Annotated Anodyne O=C(C1CCN(c2ccncc2)CC1)N1CC[C@H](CNS(=O)(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000028955951 JG Annotated Anodyne N=C(N)NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccc3cccnc23)c1F ZINC000028956068 JG Annotated Anodyne N=C(N)NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccc3cnccc23)c1F ZINC000028956079 JG Annotated Anodyne COc1cc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1 ZINC000028957734 JG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N(C)C3CCN(C(=O)/C=C/c4ccco4)CC3)c(F)c2)C(=O)O1 ZINC000028958910 JG Annotated Anodyne O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)nc2)C(=O)N1 ZINC000028960834 JG Annotated Anodyne CCOC(=O)/C(C)=C/C=C/[C@@]1(C)OC(=O)[C@]23CC=C(C(=O)OC)CC[C@]2(OC(C)=O)[C@H]1CC3 ZINC000028966495 JG Annotated Anodyne CCOCCOC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966614 JG Annotated Anodyne C=C1[C@@]2(C)C[C@H]3C(C)=C4CC(=O)OC(C)(C)C4=CC[C@]3(C)[C@]1(C(=O)OC)C(=O)[C@@](C)(O)C2=O ZINC000028973453 JG Annotated Mild in-vitro C[C@H](CCCNS(C)(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978027 JG Annotated Anodyne CSc1nc2ccccc2n1Cc1ccc([C@]2(N)CCN([C@H](CC(C)C)C(=O)NO)C2=O)cc1 ZINC000029038006 JG Annotated Bother COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)cc(N)c2c(-c2ccccc2)c1OC ZINC000029042055 JG Annotated Anodyne NC(N)=NC(=O)c1ccc(C(=O)NCCCCNC(=O)c2ccc3ccc4cccc5ccc2c3c45)[nH]1 ZINC000029043649 JG Annotated Mild C/C1=C\[C@@H](O)C(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)SSC(=O)[C@]2(C)O ZINC000029043759 JG Annotated Reactive C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CNC(=O)c2cccnc2)C1 ZINC000029043916 JG Annotated Anodyne CCOC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1cn(CCc2ccc(F)cc2)nn1 ZINC000029044534 JG Annotated Anodyne CCOC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1cn(CCc2ccc(F)cc2)nn1 ZINC000029044537 JG Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000029045830 JG Annotated Anodyne CCOC(=O)C(C)(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12 ZINC000029048463 JG Annotated Anodyne Nc1cnc2cccc(N3CCN(C(=O)CCS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)n12 ZINC000029055794 JG Annotated Anodyne CS(=O)(=O)c1ccc(/C=C(/C(=O)OCCO[N+](=O)[O-])c2ccc(Br)cc2)cc1 ZINC000029059675 JG Annotated Anodyne CCOC(=O)c1nn2c(O)nc3cc(Cl)c(-n4ccc(C=O)c4)cc3c2c1C(=O)OCC ZINC000029060606 JG Annotated Anodyne O=C(NCCc1ccccc1)Nc1cc2c(cc1Cl)nc(O)n1nc(C(=O)O)c(C(=O)O)c21 ZINC000029060953 JG Annotated Anodyne Cn1nc2ccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)cc2n1 ZINC000029063534 JG Annotated Anodyne CNC(=S)NNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nc2cc(Cl)c(Cl)cc21 ZINC000029123809 JG Annotated Reactive CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000029126461 JG Annotated Anodyne CN(C(=O)NC1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000029126498 JG Annotated Anodyne Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)ncnc12 ZINC000029126847 JG Annotated Anodyne COc1cc2c(cc1OC)CN(c1c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn4c3c1OC[C@@H]4C)CC2 ZINC000029126976 JG Annotated Bother COc1cc2c(cc1OC)CN(c1c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn4c3c1OC[C@H]4C)CC2 ZINC000029126977 JG Annotated Bother C[C@@H]1COc2c(N3CCN(C)[C@@H](c4ccccc4)C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 ZINC000029127249 JG Annotated Bother C[C@H]1COc2c(N3CCN(C)[C@@H](c4ccccc4)C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 ZINC000029127250 JG Annotated Bother COc1cnn(C)c(=O)c1-c1ccc(C[C@@H](CO)NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000029127879 JG Annotated Anodyne O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H](n2cnc3ncnc(Cl)c32)OCc2ccccc21 ZINC000029128154 JG Annotated Bother O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H](n2cnc3ncnc(Cl)c32)OCc2ccccc21 ZINC000029128155 JG Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](n3cnc4ncnc(Cl)c43)OCc3ccccc32)cc1 ZINC000029128209 JG Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](n3cnc4ncnc(Cl)c43)OCc3ccccc32)cc1 ZINC000029128210 JG Annotated Bother O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H](n2cnc3c(Cl)ncnc32)OCc2ccccc21 ZINC000029128212 JG Annotated Bother O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H](n2cnc3c(Cl)ncnc32)OCc2ccccc21 ZINC000029128213 JG Annotated Bother O=C(NC1CC1)c1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000029129290 JG Annotated Anodyne O=C(NC1CC1)c1ccc(CN([C@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000029129292 JG Annotated Anodyne COc1cc(-c2nn(-c3ccccc3)[n+](-c3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1OC(C)=O ZINC000029130336 JG Annotated Bother COc1cc(Cc2nnc(S)n2-c2ccccc2)c(S(=O)(=O)N2CCCCC2)cc1OC ZINC000029132542 JG Annotated Anodyne COc1cc(Cc2nnc(S)n2-c2ccc(Cl)cc2)c(S(=O)(=O)N(C)C)cc1OC ZINC000029132636 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1cc(OC)c(OC)cc1Cc1nnc(S)n1-c1ccccc1 ZINC000029132637 JG Annotated Anodyne COc1cc2c(cc1OC)N(C(=O)OCCSc1ccccc1)[C@@H](O)[C@@H]1CCCN1C2=O ZINC000029212482 JG Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)OCCCCOC(=O)CCN3CCN(C)CC3)ccc2c1 ZINC000029252240 JG Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OCCCCOC(=O)CCN3CCN(C)CC3)ccc2c1 ZINC000029252247 JG Annotated Anodyne CN1CCN(CCCN2N=C3/C(=C/c4ccccc4)CS(=O)(=O)C[C@H]3[C@@H]2c2ccccc2)CC1 ZINC000029254919 JG Annotated Anodyne CN1CCN(CCCN2N=C3/C(=C/c4ccccc4)CS(=O)(=O)C[C@@H]3[C@@H]2c2ccccc2)CC1 ZINC000029254924 JG Annotated Anodyne CCN(CC)CCn1nc2c3c(O)ccc(O)c3sc3c(NCCNCCO)ccc1c32 ZINC000029320322 JG Annotated Bother C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N(C)Cc3cccc4ccccc34)[C@H](C)[C@H]12 ZINC000029345051 JG Annotated Anodyne CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccc(N)cc3nc12 ZINC000029347683 JG Annotated Clean COc1cc(C[C@H]2c3cc4c(cc3CCN2CCCl)O[S@@](=O)O4)cc(OC)c1OC ZINC000029391059 JG Annotated Unstable COc1cc(C[C@@H]2c3cc4c(cc3CCN2CCCl)O[S@@](=O)O4)cc(OC)c1OC ZINC000029391061 JG Annotated Unstable COc1ccc(N(Cc2ncc[nH]2)[C@@H]2c3cc([N+](=O)[O-])ccc3O[C@@](C)(C(OC)OC)[C@H]2O)cc1 ZINC000029398794 JG Annotated Clean Nc1nccc2ccc(OCCN3Cc4cc(-c5ccccc5S(N)(=O)=O)ccc4C3=O)cc12 ZINC000029398914 JG Annotated Anodyne Cc1c(Sc2ccccc2)n(COCO)c(=O)n(CCCCCCBr)c1=O ZINC000029399189 JG Annotated Reactive COc1ccc(N(Cc2ncc[nH]2)[C@H]2c3cc([N+](=O)[O-])ccc3O[C@](C)(C(OC)OC)[C@@H]2O)cc1 ZINC000029400173 JG Annotated Clean CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)n2nc(C)c(Br)c2C)cc1 ZINC000029400471 JG Annotated Anodyne Cc1nn(C(=O)c2ccc(S(=O)(=O)NC(=O)Nc3ccccc3)cc2)c(C)c1Br ZINC000029407091 JG Annotated Anodyne CCOC(=O)/C=C/C(=O)O/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029474706 JG Annotated Anodyne CN(C)Cc1ccc(N[C@H]2C(=O)[C@H](Cl)[C@H](Nc3ccc(CN(C)C)cc3)C(=O)[C@@H]2Cl)cc1 ZINC000029476640 JG Annotated Reactive CN(C)Cc1ccc(N[C@@H]2C(=O)[C@H](Cl)[C@H](Nc3ccc(CN(C)C)cc3)C(=O)[C@@H]2Cl)cc1 ZINC000029476644 JG Annotated Reactive CN(C)Cc1ccc(N[C@H]2C(=O)[C@H](Cl)[C@H](Nc3ccc(CN(C)C)cc3)C(=O)[C@H]2Cl)cc1 ZINC000029476648 JG Annotated Reactive CN(C)Cc1ccc(N[C@@H]2C(=O)[C@H](Cl)[C@H](Nc3ccc(CN(C)C)cc3)C(=O)[C@H]2Cl)cc1 ZINC000029476652 JG Annotated Reactive CO[C@@H](C)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029479059 JG Annotated Anodyne CO[C@H](C)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029479062 JG Annotated Anodyne CC(C)[C@@H](N)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029481250 JG Annotated Anodyne COCC(=O)O[C@@H](C)O/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029482685 JG Annotated Anodyne COCC(=O)O[C@H](C)O/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029482688 JG Annotated Anodyne C[C@@H](NC(=O)c1ccc(-c2cccnc2)s1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029486816 JG Annotated Anodyne CN(C)C1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4cc(N)c(F)cc4F)c3c2Cl)C1 ZINC000029555008 JG Annotated Anodyne CCNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4cc(N)c(F)cc4F)c3c2Cl)C1 ZINC000029564860 JG Annotated Anodyne CCc1c(C)[nH]c(=O)c(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1Cc1cc(C)cc(C)c1 ZINC000029565659 JG Annotated Anodyne O=C(O)C[C@@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(Br)cc1 ZINC000029565743 JG Annotated Reactive O=C(O)C[C@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(Br)cc1 ZINC000029565746 JG Annotated Reactive O=C(O)C[C@@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(OC(F)(F)F)cc1 ZINC000029567313 JG Annotated Reactive O=C(O)C[C@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(OC(F)(F)F)cc1 ZINC000029567317 JG Annotated Reactive CN1CCN(CC(=O)N[C@@H]2C[C@@]3(N(C)C)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000299806925 JG Annotated Anodyne CN1CCN(CC(=O)N[C@H]2C[C@@]3(N(C)C)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000299806926 JG Annotated Anodyne CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1CC[C@H](COC(=O)OC[C@@H]2C[C@]3(CO3)CC(C)(C)O2)CC1 ZINC000299807037 JG Annotated Anodyne O=[S@]1N=C(NCCCN(Cc2cccs2)c2ccccn2)C(NCc2ccccc2)=N1 ZINC000299807374 JG Annotated Anodyne O=[S@@]1N=C(NCCCN(Cc2cccs2)c2ccccn2)C(NCc2ccccc2)=N1 ZINC000299807375 JG Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)[C@@H]2C[C@@H]2[C@@]23C[C@H]4C[C@@H](O[C@]4(C)C2)[C@@H]13 ZINC000299807414 JG Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)[C@@H]2C[C@@H]2[C@@]23C[C@H]4C[C@@H](O[C@]4(C)C2)[C@H]13 ZINC000299807415 JG Annotated Anodyne CCN(CC)CCCn1c(=O)c(=Cc2ccc(F)cc2F)s/c1=C1\C(=O)Nc2cc(F)ccc21 ZINC000299809134 JG Annotated Anodyne CCN(CC)CCCn1c(=O)c(=Cc2ccc(F)c(F)c2)s/c1=C1\C(=O)Nc2cc(F)ccc21 ZINC000299809217 JG Annotated Anodyne CCN(CC)CCCn1c(=O)c(=Cc2ccc(F)c(F)c2)s/c1=C1\C(=O)Nc2ccc(F)cc21 ZINC000299809367 JG Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@@H]1C[C@@H]31 ZINC000299809580 JG Annotated Anodyne O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000299809583 JG Annotated Anodyne O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000299809587 JG Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@@H]3C[C@@H](O)[C@]12C ZINC000299810243 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@@H]3C[C@@H](O)[C@@]12C ZINC000299810244 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3C[C@@H](O)[C@@]12C ZINC000299810245 JG Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3C[C@@H](O)[C@]12C ZINC000299810246 JG Annotated Mild CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000299810928 JG Annotated Anodyne C[C@@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@H]3[C@@H](O1)[C@@H](Cl)[C@H]2C4 ZINC000299811634 JG Annotated Reactive C[C@@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@@H](O1)[C@@H](Cl)[C@H]2C4 ZINC000299811635 JG Annotated Reactive C[C@@]12C[C@@]34C=CC(=O)[C@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@@H](O1)[C@@H](Cl)[C@H]2C4 ZINC000299811636 JG Annotated Reactive CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CN2CCN(C)CC2)[C@H]1c1ccccc1 ZINC000299811678 JG Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CN2CCN(C)CC2)[C@H]1c1ccccc1 ZINC000299811679 JG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CC[C@@H](N(C)c4ccc([N+](=O)[O-])o4)[C@H](C)C3)c(F)c2)C(=O)O1 ZINC000299812248 JG Annotated Bother C=CCNc1nccc(-c2[nH]c([C@@H]3OC[C@](C)(C(=O)NCCOC)CO3)nc2-c2ccc(F)cc2)n1 ZINC000299812625 JG Annotated Mild CO[C@@H]1[C@@H](C)O[C@@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)[C@@H]2O[C@H]12 ZINC000299812868 JG Annotated Mild CC(=O)OC[C@@H]1O[C@H](CC=NO[C@@H](C)CN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000299813467 JG Annotated Mild CC(=O)OC[C@@H]1O[C@H](CC=NO[C@H](C)CN2CCCc3nc(C)c(C)cc32)C=C[C@H]1OC(C)=O ZINC000299813468 JG Annotated Mild CC(=O)OC[C@@H]1O[C@H](CC=NO[C@H](C)CN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000299813469 JG Annotated Mild CC(=O)OC[C@@H]1O[C@H](CC=NO[C@@H](C)CN2CCCc3nc(C)c(C)cc32)C=C[C@H]1OC(C)=O ZINC000299813470 JG Annotated Mild CC(=O)OC[C@@H]1O[C@H](CCON=C(C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@H]1OC(C)=O ZINC000299813799 JG Annotated Mild CC(=O)OC[C@@H]1O[C@H](CCON=C(C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000299813800 JG Annotated Mild CC(=O)OC[C@@H]1O[C@@H](CCON=C(C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@H]1OC(C)=O ZINC000299813801 JG Annotated Mild CC(=O)OC[C@@H]1O[C@@H](CCON=C(C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000299813802 JG Annotated Mild C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@@H]2C[C@H]1[C@@H](O)C3 ZINC000299813985 JG Annotated Mild C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@H]2C[C@H]1[C@@H](O)C3 ZINC000299813986 JG Annotated Mild C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@H]2C[C@H]1C[C@H]3O ZINC000299814010 JG Annotated Mild C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@@H]2C[C@H]1C[C@H]3O ZINC000299814011 JG Annotated Mild CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc(C(=O)c3cccc(Cl)c3)c2)nc1O ZINC000299814743 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2C(c3ccc(O)c(C)c3)=C(c3ccc(O)c(C)c3)[C@@H]([C@H]1C(=O)OCC)[S@@]2=O ZINC000299814752 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2C(c3ccc(O)c(C)c3)=C(c3ccc(O)c(C)c3)[C@@H]([C@H]1C(=O)OCC)[S@]2=O ZINC000299814753 JG Annotated Anodyne CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@]3(CO)[C@@H](Oc4nc(=O)ccn43)[C@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000299814922 JG Annotated Reactive CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)c2c(nn(-c3ccccc3)c2O)C[C@]1(O)OCC ZINC000299815624 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)c2c(nn(-c3ccccc3)c2O)C[C@]1(O)OCC ZINC000299815625 JG Annotated Anodyne O=[N+]([O-])c1cc(C=NN=c2[nH]c3nonc3[nH]c2=Nc2ccc(F)cc2)c(Cl)cc1Cl ZINC000299817961 JG Annotated Mild C[C@@]1(C(=O)NC[C@@H]2CC(Br)=NO2)CCCN1C(=O)OCc1cnc2ccccc2c1 ZINC000299818721 JG Annotated Anodyne CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)nn23)cc1 ZINC000299818793 JG Annotated Anodyne C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)c1cn(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nn1 ZINC000299819704 JG Annotated Bother C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)c1cn(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nn1 ZINC000299819705 JG Annotated Bother O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CNCCc3ccccc3F)c(O)cc(O)c12 ZINC000299820439 JG Annotated Clean COc1ccc(Cl)c(Nc2nccnc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1 ZINC000299820599 JG Annotated Anodyne CN1C(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccc(Br)cc32)C(=O)N(C)C1=O ZINC000299821247 JG Annotated Mild CN1C(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccc(Br)cc32)C(=O)N(C)C1=O ZINC000299821248 JG Annotated Mild CCOC(=O)Cn1cc(CN(C2=CC(=O)c3ccccc3C2=O)c2ccccc2Cl)nn1 ZINC000299822628 JG Annotated Mild CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@@H](CNc4ccc(C(=O)O)cc4)[C@H](CC[C@@H]21)[C@H]3O ZINC000299823303 JG Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@H](CNc4ccc(C(=O)O)cc4)[C@H](CC[C@@H]21)[C@H]3O ZINC000299823309 JG Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1ccoc1)N1CCN(C2=NC(=O)/C(=C/c3ccccc3)S2)CC1 ZINC000299824094 JG Annotated Clean CC(C)(C)n1nnnc1[C@H](c1ccoc1)N1CCN(C2=NC(=O)/C(=C/c3ccccc3)S2)CC1 ZINC000299824100 JG Annotated Clean C=C(C)[C@@H]1CC=C(CN(OC)[C@@H]2O[C@H](CNC(=O)CCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)CC1 ZINC000299824377 JG Annotated Mild C=C(C)[C@@H]1CC=C(CN(OC)[C@H]2O[C@H](CNC(=O)CCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)CC1 ZINC000299824385 JG Annotated Mild COCCN([C@H]1CCN(Cc2c(-c3ccccc3)[nH]c3c(OC)cccc23)C1)S(C)(=O)=O ZINC000299824721 JG Annotated Anodyne COCCN([C@@H]1CCN(Cc2c(-c3ccccc3)[nH]c3c(OC)cccc23)C1)S(C)(=O)=O ZINC000299824725 JG Annotated Anodyne O=C(NCc1ccc(Cl)cc1)NC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1 ZINC000299824900 JG Annotated Anodyne COC(=O)c1c(C(=O)OC)c2c(C)cc(C)cn2c1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000299825091 JG Annotated Anodyne O=C(Cn1cc(C[C@@H](O)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)c1ccc(F)cc1 ZINC000299825837 JG Annotated Anodyne O=C(Cn1cc(C[C@H](O)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)c1ccc(F)cc1 ZINC000299825840 JG Annotated Anodyne N#Cc1c(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] ZINC000299825842 JG Annotated Mild COc1cnc2ccc(=O)n(CCN3CCC(NC(=S)NCc4ccc(Cl)cc4)CC3)c2c1 ZINC000299825976 JG Annotated Anodyne O=C(NCc1ccc(C(F)(F)F)cc1)c1cn2cc(-c3cnn(CCN4CCOCC4)c3)ccc2n1 ZINC000299826102 JG Annotated Anodyne CC(C)(C(=O)NCc1ccccc1)[C@@H]1C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2NC1=O ZINC000299826485 JG Annotated Anodyne CC(C)(C(=O)NCc1ccccc1)[C@H]1C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2NC1=O ZINC000299826490 JG Annotated Anodyne COC(=O)N(Cc1ccco1)C(=O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000299827318 JG Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc(N3CCOCC3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000299827330 JG Annotated Clean CCC(=O)CC[C@@H](/C=C/[C@H]1[C@H](OC(C)=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC)OC(C)=O ZINC000299827748 JG Annotated Anodyne CCOC(=O)Cn1cc(CN(C2=CC(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)nn1 ZINC000299828167 JG Annotated Mild O=c1ccc2ncc(F)cc2n1CCN1CCC(NC(=S)NCc2ccc(Cl)cc2)CC1 ZINC000299828370 JG Annotated Anodyne C[C@@](O)(Cc1cn(CC(=O)c2ccccc2)nn1)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000299828996 JG Annotated Anodyne C[C@](O)(Cc1cn(CC(=O)c2ccccc2)nn1)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000299829000 JG Annotated Anodyne COc1cnc2ccc(=O)n(CCN3CCC(NC(=S)Nc4ccc(C)cc4)CC3)c2c1 ZINC000299829470 JG Annotated Anodyne COc1cnc2ccc(=O)n(CCN3CCC(NC(=S)Nc4ccc(C(C)=O)cc4)CC3)c2c1 ZINC000299829487 JG Annotated Anodyne COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)COc2ccc3cc[nH]c3c2)cc1OC ZINC000299829498 JG Annotated Anodyne CC1(C[S@](=O)CCOC(=O)Nc2ccc3sc4c(c3c2)SCCNC4=O)COC1 ZINC000299829507 JG Annotated Anodyne CC1(C[S@@](=O)CCOC(=O)Nc2ccc3sc4c(c3c2)SCCNC4=O)COC1 ZINC000299829509 JG Annotated Anodyne CC(C)CN(C[C@@H](O)COC(=O)Nc1cccc2[nH]ccc12)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299829514 JG Annotated Bother COc1cc(O)c(C(=O)OCc2ccc(Br)cc2)c(/C=C/CN2C(=O)C=CC2=O)c1 ZINC000299829723 JG Annotated Anodyne COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)CNc2ccc3[nH]ccc3c2)cc1OC ZINC000299830354 JG Annotated Anodyne CO[C@@]12CCN(Cc3ccccc3)C[C@H]1[C@H](c1ccc(N3CCOCC3)cc1)C(C#N)=C(N)O2 ZINC000299830391 JG Annotated Reactive C[C@H]1CN(Cc2ccc(C#Cc3ccc(OCC4(C(=O)NO)CCOCC4)cc3)cc2)C[C@@H](C)O1 ZINC000299830539 JG Annotated Mild Oc1ccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)cc1Br ZINC000299830888 JG Annotated Mild CCOC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@H]1c1cc2cc(C)ccc2n2nnnc12 ZINC000299831133 JG Annotated Mild CCOC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@H]1c1cc2cc(C)ccc2n2nnnc12 ZINC000299831136 JG Annotated Mild COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)CNc2cccc3[nH]ccc23)cc1OC ZINC000299831348 JG Annotated Anodyne COc1cc2c(c(OC)c1OC)CCn1c[n+]3c(c1-2)-c1cc(OC)c(OC)c(OC)c1CC3 ZINC000299831801 JG Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@H](CNc4cccc(C#N)c4)[C@H](CC[C@@H]21)[C@H]3O ZINC000299832280 JG Annotated Mild CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@@H](CNc4cccc(C#N)c4)[C@H](CC[C@@H]21)[C@H]3O ZINC000299832283 JG Annotated Mild COc1c(C)c2c(c(OC)c1OC)C(=O)[C@@]1(OC2)OCc2c(C)c(OC)c(OC)c(OC)c21 ZINC000299832547 JG Annotated Anodyne COc1c(C)c2c(c(OC)c1OC)C(=O)[C@]1(OC2)OCc2c(C)c(OC)c(OC)c(OC)c21 ZINC000299832548 JG Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1ccncc1)N1CCN(C2=NC(=O)/C(=C/c3ccccc3)S2)CC1 ZINC000299832747 JG Annotated Clean CC(C)(C)n1nnnc1[C@H](c1ccncc1)N1CCN(C2=NC(=O)/C(=C/c3ccccc3)S2)CC1 ZINC000299832748 JG Annotated Clean COc1ccc(-c2oc(C3CCOCC3)nc2C)cc1S(=O)(=O)N[C@@H]1CC[C@@H](O)CC1 ZINC000299832979 JG Annotated Anodyne CC(=O)c1ccc(NC(=S)NC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1 ZINC000299833020 JG Annotated Anodyne C=C(C)[C@@H]1CC=C(CN(OC)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](NC(=O)CCCCCCCCC)[C@H]2O)CC1 ZINC000299833271 JG Annotated Mild C=C(C)[C@@H]1CC=C(CN(OC)[C@H]2O[C@H](CO)[C@@H](O)[C@H](NC(=O)CCCCCCCCC)[C@H]2O)CC1 ZINC000299833273 JG Annotated Mild CC[C@H](C)[C@H](NC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(C)C)C(=O)NCc1ccnc(C#N)n1 ZINC000299833349 JG Annotated Mild CC[C@H](C)[C@H](NC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(C)C)C(=O)NCc1ccnc(C#N)n1 ZINC000299833351 JG Annotated Mild CC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]3[C@H](CC[C@]4(CO4)[C@H](OC(C)=O)[C@@H]12)C3(C)C ZINC000299833369 JG Annotated Mild COc1ccc(NC[C@H]2C(=O)[C@@]34[C@@H](CC[C@@H]2[C@H]3O)[C@]2(C)CCC(=O)C(C)(C)[C@H]2C[C@H]4O)cc1 ZINC000299833530 JG Annotated Anodyne CC(C)(C)NC(=O)c1cccc2c1NC(=O)[C@H](C(C)(C)C(=O)NCc1ccccc1)C(=O)N2 ZINC000299833535 JG Annotated Anodyne COc1ccc(NC[C@@H]2C(=O)[C@@]34[C@@H](CC[C@@H]2[C@H]3O)[C@]2(C)CCC(=O)C(C)(C)[C@H]2C[C@H]4O)cc1 ZINC000299833536 JG Annotated Anodyne CC(C)(C)NC(=O)c1cccc2c1NC(=O)[C@@H](C(C)(C)C(=O)NCc1ccccc1)C(=O)N2 ZINC000299833537 JG Annotated Anodyne Cn1c(O)c([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(Cl)cc2Cl)c(=O)n(C)c1=O ZINC000299834230 JG Annotated Mild Cn1c(O)c([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(Cl)cc2Cl)c(=O)n(C)c1=O ZINC000299834231 JG Annotated Mild C=C[C@](C)(CC/C=C(\C)C(=O)O)O[C@@H]1O[C@@H](C)[C@H](O[C@@](C)(C=C)CC/C=C(\C)C(=O)O)[C@@H](O)[C@H]1O ZINC000299834327 JG Annotated Mild C=C[C@](C)(CC/C=C(\C)C(=O)O)O[C@H]1[C@H](C)O[C@@H](O[C@@](C)(C=C)CC/C=C(\C)C(=O)O)[C@H](O)[C@@H]1O ZINC000299834328 JG Annotated Mild C=C[C@](C)(CC/C=C(\C)C(=O)O)O[C@@H]1O[C@@H](C)[C@H](O[C@](C)(C=C)CC/C=C(\C)C(=O)O)[C@@H](O)[C@H]1O ZINC000299834329 JG Annotated Mild C=C[C@@](C)(CC/C=C(\C)C(=O)O)O[C@@H]1O[C@@H](C)[C@H](O[C@@](C)(C=C)CC/C=C(\C)C(=O)O)[C@@H](O)[C@H]1O ZINC000299834331 JG Annotated Mild O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCCCCc2cc(ccn2)-c2nc1cs2 ZINC000299834369 JG Annotated Anodyne CC(=O)Nc1cc([C@H]2CN(C(=O)C[C@H](N)Cc3ccc(Cl)cc3)C[C@@H]2CO)ccc1Cl ZINC000299835096 JG Annotated Anodyne O=C1c2c(O)cccc2C(=O)c2c1c(O)cc1nc(N3CCN(CCN4CCCCC4)CC3)sc21 ZINC000299835404 JG Annotated Clean O=C(CNC(=O)COc1ccc(Br)cc1)NCc1ccc(Br)cc1F ZINC000299835419 JG Annotated Anodyne COc1ccc(/C=N/OC[C@@H](CN2CCC(OC(C)=O)CC2)OC(C)=O)cc1OC1CCCC1 ZINC000299835478 JG Annotated Mild COc1ccc(/C=N/OC[C@H](CN2CCC(OC(C)=O)CC2)OC(C)=O)cc1OC1CCCC1 ZINC000299835480 JG Annotated Mild Cc1ccc(S(=O)(=O)Nc2ccc3c(ccn3CC(=O)N[C@@H](CC(C)C)C(=O)O)c2)cc1 ZINC000299836028 JG Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1cccnc1)N1CCN(C2=NC(=O)/C(=C/c3ccccc3)S2)CC1 ZINC000299836049 JG Annotated Clean CC(C)(C)n1nnnc1[C@@H](c1cccnc1)N1CCN(C2=NC(=O)/C(=C/c3ccccc3)S2)CC1 ZINC000299836050 JG Annotated Clean COC(=O)c1cc(Cn2cc(C(=O)O)c(=O)c3cc(I)ccc32)ccc1OC ZINC000299836098 JG Annotated Anodyne COC(=O)[C@]1(Cc2cc(OC)c(OC)c(OC)c2)CC(=O)O[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299836986 JG Annotated Anodyne COC(=O)[C@@]1(Cc2cc(OC)c(OC)c(OC)c2)CC(=O)O[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299836988 JG Annotated Anodyne COC(=O)[C@]1(Cc2cc(OC)c(OC)c(OC)c2)CC(=O)O[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299836990 JG Annotated Anodyne COC(=O)[C@@]1(Cc2cc(OC)c(OC)c(OC)c2)CC(=O)O[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299836992 JG Annotated Anodyne CCOc1c(S(=O)(=O)N(CC)CC)cc(S(=O)(=O)N(CC)CC)c2ccc(C)nc12 ZINC000299837774 JG Annotated Anodyne C[C@H](O)CNc1nccc(-n2ccnc2Cc2cccc(NC(=O)[C@H]3Cc4ccccc4N3)c2)n1 ZINC000299839194 JG Annotated Anodyne C[C@H](O)CNc1nccc(-n2ccnc2Cc2cccc(NC(=O)[C@@H]3Cc4ccccc4N3)c2)n1 ZINC000299839197 JG Annotated Anodyne CN(C)c1ccc(/C=C2\CNC/C(=C\c3ccc(N(C)C)cc3[N+](=O)[O-])C2=O)c([N+](=O)[O-])c1 ZINC000299840038 JG Annotated Mild O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CNCCc3ccc(F)cc3)c(O)cc(O)c12 ZINC000299840102 JG Annotated Clean CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)N[C@H](CC(=O)O)CC(C)C)C(=O)[C@]12C ZINC000299840844 JG Annotated Mild Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 ZINC000299841077 JG Annotated Anodyne O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CNCCc3cccc(F)c3)c(O)cc(O)c12 ZINC000299841220 JG Annotated Clean COc1cc(/C=C/c2cc(N3CCN(C)CC3)c3ccccc3[n+]2C)ccc1N1CCOCC1 ZINC000299844479 JG Annotated Clean CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@@H]4CCN[C@H]4C3)c2c1Cl ZINC000299844827 JG Annotated Anodyne CO[C@H]1[C@@H]2O[C@@H]2[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)O[C@@H]1C ZINC000299845465 JG Annotated Mild CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3C3=COC(=O)[C@@H]3O)[C@]12C ZINC000299847021 JG Annotated Anodyne CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3C3=COC(=O)[C@H]3O)[C@]12C ZINC000299847024 JG Annotated Anodyne CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3C3=COC(=O)[C@@H]3O)[C@]12C ZINC000299847141 JG Annotated Mild CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3C3=COC(=O)[C@H]3O)[C@]12C ZINC000299847143 JG Annotated Mild CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1OC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)N(C)C)CO1 ZINC000299847866 JG Annotated Anodyne CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3C3=C[C@H](O)OC3=O)[C@]12C ZINC000299848170 JG Annotated Anodyne CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3C3=C[C@@H](O)OC3=O)[C@]12C ZINC000299848173 JG Annotated Anodyne CC1(C)CCc2c(C(=O)Nc3cnn([C@H](c4ccccc4)[C@H]4CCS(=O)(=O)C4)c3)n[nH]c2C1 ZINC000299851459 JG Annotated Anodyne CC1(C)CCc2c(C(=O)Nc3cnn([C@H](c4ccccc4)[C@@H]4CCS(=O)(=O)C4)c3)n[nH]c2C1 ZINC000299851460 JG Annotated Anodyne O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC(NCOc3cc(F)ccc3F)(CC1)CO2 ZINC000299851649 JG Annotated Anodyne C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OCCN4CCN(C)CC4)[C@@H]2CC[C@]1(O)C3 ZINC000299851676 JG Annotated Mild Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@H](N6CCCCC6)C5)c34)cnn2CO)cc1 ZINC000299853031 JG Annotated Anodyne CCOCCS(=O)(=O)Oc1ccc(C)cc1-c1cc(-c2ccccc2)n(CCN[C@@H]2CCNC2)n1 ZINC000299854799 JG Annotated Anodyne C=CCn1c(=Cc2cccc(Br)c2)c(O)nc(=Cc2cccc(Br)c2)c1=O ZINC000299855054 JG Annotated Mild O=C(O)CCCCCCCCCCCCCCCSC1=N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O1 ZINC000299855267 JG Annotated Anodyne CCn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2cc(C(F)(F)F)cnc21 ZINC000299857430 JG Annotated Anodyne CCn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2nc(C(F)(F)F)ccc21 ZINC000299857797 JG Annotated Anodyne COCCN1CCN(c2nc(SCCc3ccncc3)c(C#N)c3c2COC(C)(C)C3)CC1 ZINC000299857848 JG Annotated Mild O=C(C1CCCC1)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000299858082 JG Annotated Bother C=COC(=O)NCc1ccc(Nc2nc(Nc3ccccc3C(=O)NC)n3ccnc3n2)cc1 ZINC000299858204 JG Annotated Anodyne Cc1cc(Br)c(N2C(=O)NC(=O)[C@H](/C=N/c3ccc(C(=O)O)c(O)c3)C2=O)cc1C ZINC000299858388 JG Annotated Mild Cc1cc(Br)c(N2C(=O)NC(=O)[C@@H](/C=N/c3ccc(C(=O)O)c(O)c3)C2=O)cc1C ZINC000299858390 JG Annotated Mild CC1(C)Cc2c(C#N)c(SCCc3ccc(S(=O)(=O)O)cc3)nc(N3CCOCC3)c2CO1 ZINC000299858598 JG Annotated Mild Cc1ccc(-c2cnc(N3CCOCC3)c(Cn3cc(/C=N/NC(=O)c4ccc(F)cc4)nn3)c2)cc1 ZINC000299859898 JG Annotated Reactive CCn1nc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2cc(C(F)(F)F)ccc21 ZINC000299860441 JG Annotated Anodyne CC(=O)c1ccc(OCc2cn([C@H]3CC(=O)N4C[C@@H]5CCCN6CCC[C@@H]([C@H]56)[C@H]4C3)nn2)cc1 ZINC000299860637 JG Annotated Anodyne O=C1OCC2=C1[C@]1(C(=O)Nc3ccc(I)cc31)c1c(-c3ccccc3)n[nH]c1N2 ZINC000299860839 JG Annotated Anodyne O=C1OCC2=C1[C@@]1(C(=O)Nc3ccc(I)cc31)c1c(-c3ccccc3)n[nH]c1N2 ZINC000299860840 JG Annotated Anodyne COc1cc(C2=NO[C@@H](COCc3cn(Cc4cc(C)cnc4Cl)nn3)C2)cc(OC)c1OC ZINC000299860963 JG Annotated Anodyne COc1cc(C2=NO[C@H](COCc3cn(Cc4cc(C)cnc4Cl)nn3)C2)cc(OC)c1OC ZINC000299860964 JG Annotated Anodyne COC(=O)C[C@H]1c2c(ccc3c2C(=O)C(=O)N3C)-c2ccccc2N1S(=O)(=O)c1ccccc1 ZINC000299861203 JG Annotated Anodyne COC(=O)C[C@@H]1c2c(ccc3c2C(=O)C(=O)N3C)-c2ccccc2N1S(=O)(=O)c1ccccc1 ZINC000299861204 JG Annotated Anodyne Cc1cnc(N2CCSCC2)c(Cn2cc(/C=N/NC(=O)c3ccc(C(F)(F)F)cc3)nn2)c1 ZINC000299861739 JG Annotated Reactive O=C(Nc1cc(C(F)(F)F)on1)N1CCCN(C(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000299861918 JG Annotated Anodyne C=COC(=O)NCc1ccc(Nc2nc(Nc3ccccc3C(=O)NC)nc3nccn23)cc1 ZINC000299862064 JG Annotated Anodyne C[C@H]1CN(c2ccc(C#N)cc2)CCN1c1cccc(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)n1 ZINC000299862485 JG Annotated Mild C[C@@H]1CN(c2ccc(C#N)cc2)CCN1c1cccc(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)n1 ZINC000299862488 JG Annotated Mild Cc1nc2c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc2cc1C#N ZINC000299862526 JG Annotated Mild C/C(=N\NC(=O)c1sc(N)c(C#N)c1N)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000299862881 JG Annotated Reactive COc1cc([C@@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2S(N)(=O)=O)cc(OC)c1OC ZINC000299863962 JG Annotated Clean COc1cc([C@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2S(N)(=O)=O)cc(OC)c1OC ZINC000299863963 JG Annotated Clean COc1cc(COCc2cn(Cc3cc(C)cnc3N3CCSCC3)nn2)cc(OC)c1OC ZINC000299863972 JG Annotated Anodyne COC(=O)C[C@H]1c2c(ccc3c2C(=O)C(=O)N3C)-c2ccccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000299864703 JG Annotated Anodyne COC(=O)C[C@@H]1c2c(ccc3c2C(=O)C(=O)N3C)-c2ccccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000299864704 JG Annotated Anodyne CC(=S)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(N5CCOC5=O)nc4)cc3SC[C@@H]12 ZINC000299864783 JG Annotated Anodyne COC(=O)C/C=C(\C)CCc1c(O)cc2c(c1O)CN([C@@H](Cc1ccccc1)C(=O)OC)C2=O ZINC000299865600 JG Annotated Clean C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000299866175 JG Annotated Mild O=C(N/N=C/c1cn(Cc2cc(-c3ccccc3)cnc2N2CCOCC2)nn1)c1ccc(F)cc1 ZINC000299866204 JG Annotated Reactive CC1(C)Cc2c(C#N)c(SCCc3cccc(-c4nnn[nH]4)c3)nc(N3CCOCC3)c2CO1 ZINC000299866403 JG Annotated Mild NS(=O)(=O)c1ccc(N2C(=O)/C(=C/c3coc4ccccc4c3=O)N=C2c2ccccc2)cc1 ZINC000299866726 JG Annotated Anodyne C=C[C@@]1(C)C[C@H](OC(=O)c2cncn(COC)c2=O)[C@]2(C)[C@@H](C)CC[C@]3(CCC(=O)[C@@H]32)[C@H](C)[C@@H]1O ZINC000299866738 JG Annotated Mild O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)NNC(=O)c1ccc(Br)cc1 ZINC000299866922 JG Annotated Reactive CCCCC[C@H](CC(=O)CCc1ccc(OS(C)(=O)=O)c(OC)c1)n1cc(C)c(O)nc1=O ZINC000299866932 JG Annotated Anodyne CCCCC[C@@H](CC(=O)CCc1ccc(OS(C)(=O)=O)c(OC)c1)n1cc(C)c(O)nc1=O ZINC000299866933 JG Annotated Anodyne CCn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2cc(C(F)(F)F)ncc21 ZINC000299867629 JG Annotated Anodyne Cc1nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)nn2c(O)c1C ZINC000299867648 JG Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N(C(=O)/C=C/c5ccccc5)C[C@]5(C)CCC[C@]46[C@H]([C@H]2O)[C@]3(CC(=O)[C@H]56)[C@@H]1O ZINC000299869094 JG Annotated Mild C=C1[C@H]2C[C@@H]3[C@@H]4N(C(=O)/C=C/c5ccccc5)C[C@]5(C)CCC[C@]46[C@H]([C@H]2O)[C@]3(CC(=O)[C@H]56)[C@@H]1O ZINC000299869095 JG Annotated Mild OCCCCCCCCCCCCCCCCSC1=N[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O1 ZINC000299869719 JG Annotated Anodyne COCCN1CCN(c2nc(SCCc3cccnc3)c(C#N)c3c2COC(C)(C)C3)CC1 ZINC000299869848 JG Annotated Mild Cc1nc2cc([C@@H]3CCCCN3C(=O)c3c(Cl)cccc3NS(C)(=O)=O)nn2c(O)c1C ZINC000299870273 JG Annotated Anodyne COc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)C3CCC(C)CC3)cc2)cc(OC)c1OC ZINC000299870278 JG Annotated Reactive COc1ccc2c(c1O)C(=O)O[C@@H]2[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CCN1C ZINC000299870350 JG Annotated Anodyne Cn1cc(-c2cncc(-c3ccc(N4CCOCC4)cc3)c2N2CCC3(CCNC3=O)CC2)cn1 ZINC000299871099 JG Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299871193 JG Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299871194 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299873598 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299873599 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)CO)c1 ZINC000299873622 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)CO)c1 ZINC000299873623 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)CO)c1 ZINC000299873624 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)CO)c1 ZINC000299873625 JG Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@@H](C)O)cc1OC ZINC000299873964 JG Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@H](C)O)cc1OC ZINC000299873965 JG Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@@H](C)O)cc1OC ZINC000299873966 JG Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@H](C)O)cc1OC ZINC000299873967 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299873989 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299873990 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)C1 ZINC000299874054 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)C1 ZINC000299874055 JG Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299874095 JG Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299874096 JG Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000299874210 JG Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000299874211 JG Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000299874212 JG Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000299874213 JG Annotated Anodyne CC(C)C[C@]1(C(=O)O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000299874224 JG Annotated Anodyne CC(C)C[C@]1(C(=O)O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000299874225 JG Annotated Anodyne CC(C)C[C@]1(C(=O)O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000299874226 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299874237 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299874238 JG Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299874271 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OC ZINC000299874481 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OC ZINC000299874482 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OC ZINC000299874483 JG Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](C)N([C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000299874549 JG Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](C)N([C@@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000299874550 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299874630 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299874631 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299874698 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@@H](O)c2ccccc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299874699 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299874700 JG Annotated Anodyne COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000299874992 JG Annotated Anodyne COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000299874993 JG Annotated Anodyne COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000299874994 JG Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000299875042 JG Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000299875043 JG Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299875129 JG Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299875130 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299875200 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299875201 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000299875336 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000299875337 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299875411 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299875412 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299875413 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299875414 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2c(F)cccc2Cl)C1 ZINC000299875444 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2c(F)cccc2Cl)C1 ZINC000299875445 JG Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299875528 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299875630 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299875731 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299875732 JG Annotated Anodyne CN1CCC[C@H]1COC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000299875831 JG Annotated Anodyne CN1CCC[C@@H]1COC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000299875832 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000299875857 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000299875858 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@H](C)O ZINC000299875859 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000299875860 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299875879 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H](C)CC)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299875880 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299875881 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299875966 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299875967 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H](C)CC)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299875968 JG Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299876033 JG Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299876034 JG Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299876223 JG Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299876224 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OC ZINC000299876232 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OC ZINC000299876233 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OC ZINC000299876234 JG Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299876392 JG Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299876393 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H]3CCc4ccccc43)N(C(=O)c3cnccn3)C2)c1 ZINC000299876448 JG Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000299876466 JG Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000299876467 JG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)cc1 ZINC000299876538 JG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)cc1 ZINC000299876539 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000299876553 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000299876554 JG Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@@H](C)C[C@@H]3OC(=O)[C@H](CNc4ccc(C)c(C)c4)[C@H]3[C@H](O)[C@]12C ZINC000299876623 JG Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@H](C)C[C@@H]3OC(=O)[C@H](CNc4ccc(C)c(C)c4)[C@H]3[C@H](O)[C@]12C ZINC000299876624 JG Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@H](C)C[C@@H]3OC(=O)[C@@H](CNc4ccc(C)c(C)c4)[C@H]3[C@H](O)[C@]12C ZINC000299876625 JG Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@@H](C)C[C@@H]3OC(=O)[C@@H](CNc4ccc(C)c(C)c4)[C@H]3[C@H](O)[C@]12C ZINC000299876626 JG Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000299876859 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299876862 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299876863 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299876864 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@H](C)O ZINC000299876960 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000299876961 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)[C@@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000299877006 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)[C@@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000299877007 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)[C@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000299877008 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)CO ZINC000299877066 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000299877067 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000299877084 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000299877085 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000299877086 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)C1 ZINC000299877173 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)C1 ZINC000299877174 JG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299877197 JG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299877198 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299877301 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3O)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299877626 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3O)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299877627 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3O)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299877628 JG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299877706 JG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299877707 JG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000299877797 JG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000299877798 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299877825 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299877826 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299877827 JG Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000299877859 JG Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000299877860 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)ccc1OC ZINC000299877892 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)ccc1OC ZINC000299877893 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)ccc1OC ZINC000299877894 JG Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@@H](C)C(=O)N2 ZINC000299877930 JG Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000299877968 JG Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000299877969 JG Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000299877970 JG Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000299877971 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000299877994 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000299877995 JG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299877996 JG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299877997 JG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299877998 JG Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@H](C)CC ZINC000299878032 JG Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299878033 JG Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000299878064 JG Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000299878065 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)c(OC)c1 ZINC000299878079 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)c(OC)c1 ZINC000299878080 JG Annotated Anodyne CN1CCC[C@H]1COC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000299878096 JG Annotated Anodyne CN1CCC[C@@H]1COC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000299878097 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2O)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299878666 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299878667 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2O)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299878668 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000299879111 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000299879112 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000299879113 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299879136 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299879137 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299879138 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000299879165 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CO ZINC000299879166 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299879552 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299879553 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CO ZINC000299879674 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000299879675 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000299879686 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)C1 ZINC000299879821 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2O)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299879899 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299879900 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2O)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299879901 JG Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000299880446 JG Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000299880447 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299880493 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2O)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299880494 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2O)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299880495 JG Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C ZINC000299880501 JG Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C ZINC000299880502 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](C)O ZINC000299880550 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000299880551 JG Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299880569 JG Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299880570 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000299880607 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000299880608 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000299880609 JG Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299880663 JG Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299880664 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NC[C@H](C)O)c1 ZINC000299880682 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NC[C@@H](C)O)c1 ZINC000299880683 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NC[C@H](C)O)c1 ZINC000299880684 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NC[C@@H](C)O)c1 ZINC000299880685 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299880839 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299880840 JG Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299881020 JG Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299881021 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000299881025 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000299881026 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000299881027 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@H](C)CC ZINC000299881028 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@H](C)CC ZINC000299881029 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000299881821 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000299881822 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000299881823 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000299881863 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@H](C)O ZINC000299881864 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1SC ZINC000299882005 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1SC ZINC000299882006 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1SC ZINC000299882007 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@H](O)c2ccccc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000299882157 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000299882158 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@@H](O)c2ccccc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000299882159 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)CO ZINC000299882209 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000299882210 JG Annotated Anodyne CN1CCC[C@@H]1COC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000299882214 JG Annotated Anodyne CN1CCC[C@H]1COC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000299882215 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299882220 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299882221 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299882222 JG Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1)c1ccccc1 ZINC000299882234 JG Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1)c1ccccc1 ZINC000299882235 JG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000299882355 JG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299882356 JG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000299882357 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)c(OC)c1 ZINC000299882408 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)c(OC)c1 ZINC000299882409 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299882439 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299882440 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299882875 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299882876 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299882877 JG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299883001 JG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299883002 JG Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000299883296 JG Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000299883297 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299883400 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299883401 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H](C)CC)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299883402 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299883456 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299883457 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299883494 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1[C@H](C)CC ZINC000299883610 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1[C@H](C)CC ZINC000299883611 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000299883655 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299883692 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299883693 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000299883694 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299883700 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299883701 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299883954 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299883955 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CO)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299884004 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CO)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299884005 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299884006 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](CO)CC(C)C)c1 ZINC000299884026 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](CO)CC(C)C)c1 ZINC000299884027 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](CO)CC(C)C)c1 ZINC000299884028 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](CO)CC(C)C)c1 ZINC000299884029 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299884030 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299884031 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299884081 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000299884105 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000299884106 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000299884107 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299884108 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299884109 JG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299884178 JG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299884179 JG Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000299884254 JG Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000299884255 JG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000299884307 JG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000299884308 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000299884364 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@@H](O)c2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000299884365 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000299884366 JG Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000299884377 JG Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](O)CN1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000299884378 JG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299884381 JG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299884382 JG Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C ZINC000299884597 JG Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C ZINC000299884598 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000299884680 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000299884681 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000299884941 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000299884942 JG Annotated Anodyne CC(=O)O[C@H]1[C@H]2[C@H](C[C@H](C)[C@@H]3[C@H](OC(C)=O)C[C@H](O)[C@]31C)OC(=O)[C@@H]2CNc1ccc(C)c(C)c1 ZINC000299885004 JG Annotated Anodyne CC(=O)O[C@H]1[C@H]2[C@H](C[C@@H](C)[C@@H]3[C@H](OC(C)=O)C[C@H](O)[C@]31C)OC(=O)[C@@H]2CNc1ccc(C)c(C)c1 ZINC000299885005 JG Annotated Anodyne CC(=O)O[C@H]1[C@H]2[C@H](C[C@@H](C)[C@@H]3[C@H](OC(C)=O)C[C@H](O)[C@]31C)OC(=O)[C@H]2CNc1ccc(C)c(C)c1 ZINC000299885006 JG Annotated Anodyne CC(=O)O[C@H]1[C@H]2[C@H](C[C@H](C)[C@@H]3[C@H](OC(C)=O)C[C@H](O)[C@]31C)OC(=O)[C@H]2CNc1ccc(C)c(C)c1 ZINC000299885007 JG Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000299885010 JG Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000299885245 JG Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000299885246 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299885287 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299885288 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299885491 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299885492 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299885493 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c(OC)c1 ZINC000299885538 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000299885539 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c(OC)c1 ZINC000299885540 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3cnccn3)C2)c1 ZINC000299885612 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3cnccn3)C2)c1 ZINC000299885613 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3cnccn3)C2)c1 ZINC000299885614 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3cnccn3)C2)c1 ZINC000299885615 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000299885802 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c1 ZINC000299885803 JG Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)CO)cc1OC ZINC000299885910 JG Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)CO)cc1OC ZINC000299885911 JG Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)CO)cc1OC ZINC000299885912 JG Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)CO)cc1OC ZINC000299885913 JG Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C ZINC000299886144 JG Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C ZINC000299886145 JG Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299886280 JG Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299886281 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299886292 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000299886293 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000299886294 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299886295 JG Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299886649 JG Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299886650 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NC[C@H](O)CC ZINC000299886736 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NC[C@H](O)CC ZINC000299886737 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299886738 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 ZINC000299886786 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 ZINC000299886787 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 ZINC000299886788 JG Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000299886996 JG Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000299886997 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000299887053 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000299887054 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000299887255 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](C)O ZINC000299887256 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299887286 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299887287 JG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c1 ZINC000299887393 JG Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000299887487 JG Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000299887488 JG Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000299887489 JG Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cnccn2)C[C@H]2C[C@H]1C2(C)C ZINC000299887490 JG Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@H](C)O)cc1OC ZINC000299887610 JG Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@@H](C)O)cc1OC ZINC000299887611 JG Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@@H](C)O)cc1OC ZINC000299887612 JG Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@H](C)O)cc1OC ZINC000299887613 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000299887622 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299887623 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000299887624 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299887625 JG Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299887776 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000299887819 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000299887820 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000299887886 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000299887887 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000299887982 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000299887983 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)CO ZINC000299887984 JG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299888018 JG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299888019 JG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000299888026 JG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000299888027 JG Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000299888059 JG Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000299888060 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3cnccn3)C2)c1 ZINC000299888106 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3cnccn3)C2)c1 ZINC000299888107 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3cnccn3)C2)c1 ZINC000299888108 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3cnccn3)C2)c1 ZINC000299888109 JG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000299888118 JG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000299888119 JG Annotated Anodyne Cc1cc(N2C(=O)c3ccc(C(=O)N4CCN(c5ccccc5Cl)CC4)cc3C2=O)no1 ZINC000003014970 JG Annotated Anodyne O=S(=O)(c1ccc2[nH]c3nc(SCc4ccccc4Cl)nnc3c2c1)N1CCOCC1 ZINC000003021637 JG Annotated Anodyne Cc1ccccc1CSc1nnc2c(n1)[nH]c1ccc(S(=O)(=O)N3CCOCC3)cc12 ZINC000003021725 JG Annotated Anodyne O=C(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1F ZINC000003024372 JG Annotated Anodyne O=C(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1F ZINC000003024374 JG Annotated Anodyne CCCC(=O)Nc1cc(C(=O)N(C)CC(OC)OC)ccc1S(=O)(=O)c1ccc(C)cc1 ZINC000003027504 JG Annotated Anodyne C=CCn1c(SCc2cccc(F)c2)nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c1=O ZINC000003052231 JG Annotated Mild COc1ccc(-c2ccc(/C=N/NC(=O)CNC(=O)c3ccc4c(c3)OCO4)o2)cc1Cl ZINC000003146286 JG Annotated Reactive CN(C)S(=O)(=O)c1cccc(C(=O)/N=C2/N=C3C=CC(Cl)=CN3Cc3ccccc32)c1 ZINC000003168530 JG Annotated Mild COc1cc(C2=Nc3c(c(C)nn3-c3ccccc3)[P@@](=O)(N3CCOCC3)O2)cc(OC)c1OC ZINC000003182795 JG Annotated Anodyne COc1cc(C2=Nc3c(c(C)nn3-c3ccccc3)[P@](=O)(N3CCOCC3)O2)cc(OC)c1OC ZINC000003182797 JG Annotated Anodyne O=C(c1ccc(N2CN(C(=O)c3ccco3)c3nc4ccccc4nc32)cc1)N1CCOCC1 ZINC000003208048 JG Annotated Anodyne COc1cc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc(OC)c1O ZINC000003238135 JG Annotated Reactive N#CC(C#N)=c1s/c(=C/c2cn(-c3ccccc3)nc2-c2cccnc2)c(=O)n1-c1ccccc1F ZINC000003280199 JG Annotated Mild N#CC(C#N)=c1s/c(=C/c2cn(-c3ccccc3)nc2-c2cccnc2)c(=O)n1-c1ccc(F)cc1 ZINC000003286194 JG Annotated Mild N#CC(C#N)=c1s/c(=C\c2cn(-c3ccccc3)nc2-c2cccnc2)c(=O)n1-c1ccc(F)cc1 ZINC000003286196 JG Annotated Mild COC(=O)c1ccc(CNC(=O)CNc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000003291256 JG Annotated Anodyne Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)o1 ZINC000003357135 JG Annotated Anodyne Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000003416353 JG Annotated Anodyne Cn1c(SCc2cc(=O)n3cc(Br)ccc3n2)nnc1[C@H]1COc2ccccc2O1 ZINC000003477905 JG Annotated Anodyne Cn1c(SCc2cc(=O)n3cc(Br)ccc3n2)nnc1[C@@H]1COc2ccccc2O1 ZINC000003477908 JG Annotated Anodyne COc1cc2[nH]c3c(c2cc1OC)CCN1C[C@H]2[C@H](C)OC=C(C(=O)OCCN(C)C)[C@H]2C[C@H]31 ZINC000030690578 JG Annotated Anodyne in-man C=C1[C@H](C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](O)C=C[C@](C)(O)C[C@H](C)CC=C[C@H]3[C@H]1O ZINC000306147150 JG Annotated Mild C=C1[C@H](C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]23[C@H](C=CC[C@@H](C)C[C@@](C)(O)C=C[C@H]3O)[C@H]1O ZINC000306147151 JG Annotated Mild C=C1[C@@H](O)[C@@H]2C=CC[C@@H](C)C[C@@](C)(O)C=C[C@@H](O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000306147152 JG Annotated Mild C=C1[C@@H](O)[C@H]2C=CC[C@@H](C)C[C@@](C)(O)C=C[C@@H](O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000306147153 JG Annotated Mild CC(=O)O[C@H]1c2c3c(cc(O)c2C(=O)O[C@H]1C)O[C@]1(C)[C@H](O)C[C@@H]2C(C)(C)C(=O)C=C[C@@]2(C)[C@H]1C3 ZINC000031156532 JG Annotated Mild CCN(CC)CCNc1ccc(NCCN(CC)CC)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000031440390 JG Annotated Clean C[C@]12CC[C@H](OS(=O)(=O)O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312 ZINC000031457063 JG Annotated Anodyne CC[C@H](C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(CO)[C@@H]1CCC[C@]21CO1)C1=CC(=O)OC1 ZINC000031495688 JG Annotated Anodyne CC[C@H](C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](O)[C@]2(COC(C)=O)[C@@H]1CCC[C@]21CO1)C1=CC(=O)OC1 ZINC000031495691 JG Annotated Anodyne CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3C3=CC(=O)O[C@@H]3O)[C@]12C ZINC000031502051 JG Annotated Anodyne COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@]23O)c(C)c1Cl ZINC000031542582 JG Annotated Reactive CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)CC[C@]4(O)[C@H]3CC[C@]2(O)C1 ZINC000031623336 JG Annotated Anodyne COc1ccc2[nH]c3c([N+](=O)[O-])ccc(NCCCN(C)C)c3/c(=N/CCCN(C)C)c2c1 ZINC000031852784 JG Annotated Bother CCOC(=O)[C@H]1C(=O)C[C@](O)(c2ccccc2)[C@H](C(=O)OCC)[C@@H]1c1ccc(N(C)C)cc1 ZINC000031870677 JG Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@](O)(c2ccccc2)[C@H](C(=O)OCC)[C@@H]1c1ccc(N(C)C)cc1 ZINC000031870678 JG Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](O)(c2ccccc2)[C@H](C(=O)OCC)[C@H]1c1ccc(N(C)C)cc1 ZINC000031870679 JG Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@](O)(c2ccccc2)[C@H](C(=O)OCC)[C@H]1c1ccc(N(C)C)cc1 ZINC000031870680 JG Annotated Anodyne CC(C)(C)c1cc([C@H]2COC(=O)COCC(=O)OCCOCCOCCO2)cc(C(C)(C)C)c1O ZINC000031870694 JG Annotated Anodyne O=c1[nH]nc(Cc2ccc(Cl)cc2)n1/N=C\CC/C=N\n1c(Cc2ccc(Cl)cc2)n[nH]c1=O ZINC000031871115 JG Annotated Mild COc1cccc2c(Nc3ccc(S(=O)(=O)N=C(N)N)cc3)c3ccc([N+](=O)[O-])cc3nc12 ZINC000031872598 JG Annotated Mild NC(N)=NS(=O)(=O)c1ccc(NCc2cccc3c(=O)c4ccc(Cl)cc4oc23)cc1 ZINC000031872730 JG Annotated Mild CC(=O)O[C@@H]1[C@@H](C)CCC/C(C)=C\CC[C@@](C)(O)C(=O)C[C@@H]2[C@H]1OC(=O)[C@@]2(O)C[C@@H]1CCCO1 ZINC000031898777 JG Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C)CCC/C(C)=C\CC[C@@](C)(O)C(=O)C[C@@H]2[C@H]1OC(=O)[C@@]2(O)C[C@H]1CCCO1 ZINC000031898781 JG Annotated Anodyne CCOC(=O)[C@@H]1ON2O[C@@H](O[C@H]3CCCC3(c3ccccc3)c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@@H]32 ZINC000031900170 JG Annotated Anodyne CCOC(=O)[C@@H]1ON2O[C@H](O[C@H]3CCCC3(c3ccccc3)c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@@H]32 ZINC000031900185 JG Annotated Anodyne CC(=O)O[C@@H]1c2oc(cc2C)[C@H]2O[C@]2(C)C[C@H]2C=C(C(=O)O2)[C@H](OC(C)=O)C[C@H]1[C@@]1(C)CO1 ZINC000031901125 JG Annotated Anodyne C[C@@](CO)(CBr)COC(=O)c1cc(Br)c(N)c(Br)c1 ZINC000031904946 JG Annotated Reactive CCOC(=O)[C@@H](Cc1ccc(OC(=O)c2ccc(OC)cc2OC)cc1)NC(=O)C(F)(F)F ZINC000031905561 JG Annotated Anodyne CCOC(=O)C1=C(C)N(Cc2ccccc2)[C@@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@]312 ZINC000031909593 JG Annotated Mild CCOC(=O)C1=C(C)N(Cc2ccccc2)[C@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@]312 ZINC000031909596 JG Annotated Mild O=C(Nc1ccccn1)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000032086649 JG Annotated Anodyne O[C@@H]1[C@@H](CI)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1O ZINC000032139442 JG Annotated Reactive C[C@H]1[C@@H](O)[C@@]2(OC1(C)C)O[C@]13CC[C@H]([C@@H]2C)[C@@]1(C)C=CC1=C3[C@H](O)[C@H](O)C2=CC(=O)CC[C@@]21C ZINC000032296402 JG Annotated Anodyne CC(C)/C=C/C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@H]1C(C)C ZINC000032302241 JG Annotated Anodyne in-vitro biogenic COC1=C(C(C)C)[C@H]2C/C=C(/C)[C@H](OC(C)=O)[C@@]3(O)CC(=O)O/C3=C(\C)CC[C@]2(C)OC1=O ZINC000032303221 JG Annotated Anodyne in-vitro biogenic O=C(c1ccco1)N1CCN([C@H](c2ccccc2Cl)c2nnnn2Cc2ccco2)CC1 ZINC000032303864 JG Annotated Anodyne O=C(c1ccco1)N1CCN([C@@H](c2ccccc2Cl)c2nnnn2Cc2ccco2)CC1 ZINC000032303866 JG Annotated Anodyne O=P(C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)(N1CCOCC1)N1CCOCC1 ZINC000032694174 JG Annotated Anodyne COc1ccc(/C=N\NC(=O)c2ccncc2)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000033247539 JG Annotated Reactive COc1ccc(CSCC(=O)N/N=C\c2ccc(OCC(=O)N3CCCCC3)cc2)cc1 ZINC000033247825 JG Annotated Reactive Cc1cccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c12 ZINC000033344967 JG Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)[nH]c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000033363650 JG Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(C)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000033363652 JG Annotated Anodyne CCC(=O)c1c(Cl)n([C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 ZINC000033505300 JG Annotated Anodyne CCCC(=O)OC[C@H]1O[C@@H](n2c(Cl)c(C=O)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000033505302 JG Annotated Anodyne O=C1CC/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@@H](c2ccccc2)O1 ZINC000033705461 JG Annotated Anodyne O=C1CC/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@@H](c2ccccc2)O1 ZINC000033705463 JG Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@@H](c2ccc3c(c2)OCO3)C[C@@H](OCCCCO)O1 ZINC000033708103 JG Annotated Anodyne CC(C)C[C@@]1(C(=O)O)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000033728961 JG Annotated Bother CC(C)C[C@]1(C(=O)O)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000033728962 JG Annotated Bother CCN1C(=O)/C(=c2/sc3nc(-c4ccccc4C)nn3c2=O)c2cc(Br)ccc21 ZINC000033750733 JG Annotated Anodyne Cc1noc(C)c1-c1ccnc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c[nH]c12 ZINC000033820017 JG Annotated Anodyne C[C@]12CCC[N+]([O-])(CC(=O)Nc3ccc(NC(=O)CCCC(=O)O)cc3)[C@@H]1CC[C@@]1(C)O[C@@H]21 ZINC000033821351 JG Annotated Mild in-vivo COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)[C@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@]23O)c(C)c1Cl ZINC000033833058 JG Annotated Reactive in-man COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@]23O)c(C)c1Cl ZINC000033833059 JG Annotated Reactive in-man CO[C@H]1CC[C@@]23c4cc5c(cc4C(=O)[C@H](CCc4ccc(O)cc4)[C@@H]2C(=O)N(C)[C@H]3C1)OCO5 ZINC000033833348 JG Annotated Anodyne in-vitro biogenic C=C1[C@@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000033833952 JG Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]2(C)C2=CC[C@@H](C3=C[C@@H](O)OC3=O)[C@@]21C ZINC000033834127 JG Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCCCCO)O1 ZINC000033855617 JG Annotated Anodyne COc1ccc(-c2ccc(/C=N\NC(=O)CNC(=O)c3ccc4c(c3)OCO4)o2)cc1Cl ZINC000033907980 JG Annotated Reactive CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OC)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](CO)[C@H]1CO ZINC000033913612 JG Annotated Anodyne CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OC)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H](CO)[C@H]1CO ZINC000033913613 JG Annotated Anodyne CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OC)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H](CO)[C@@H]1CO ZINC000033913614 JG Annotated Anodyne C/C=C\[C@H](CC(=O)NCC[C@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21)CC(=O)OC ZINC000033917305 JG Annotated Anodyne CCN1C(=O)/C(=c2/sc3nc(-c4ccc(F)cc4)nn3c2=O)c2cc(Br)ccc21 ZINC000033928708 JG Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C ZINC000033943477 JG Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)CCC[C@@H]1C ZINC000033943486 JG Annotated Anodyne CCCCC/C=C/C=C/C=C/[C@H](O)[C@@H](C)[C@@H](C/C=C/[C@H]1OC(=O)C=C[C@H]1O)OS(=O)(=O)O ZINC000033954365 JG Annotated Anodyne in-vitro CCCCC/C=C/C=C/C=C/[C@@H](O)[C@@H](C)[C@@H](C/C=C/[C@H]1OC(=O)C=C[C@H]1O)OS(=O)(=O)O ZINC000033954366 JG Annotated Anodyne in-vitro CCCCC/C=C/C=C/C=C/[C@H](O)[C@H](C)[C@@H](C/C=C/[C@H]1OC(=O)C=C[C@H]1O)OS(=O)(=O)O ZINC000033954367 JG Annotated Anodyne in-vitro CCCCC/C=C/C=C/C=C/[C@@H](O)[C@H](C)[C@@H](C/C=C/[C@H]1OC(=O)C=C[C@H]1O)OS(=O)(=O)O ZINC000033954368 JG Annotated Anodyne in-vitro C/C(=C/[C@@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@H]1OC(=O)/C=C\CC/C=C\C=C/[C@H]1C ZINC000033954400 JG Annotated Anodyne in-vitro C/C(=C/[C@@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@H]1OC(=O)/C=C\CC/C=C\C=C/[C@@H]1C ZINC000033954401 JG Annotated Anodyne in-vitro C/C(=C/[C@@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C\CC/C=C\C=C/[C@H]1C ZINC000033954402 JG Annotated Anodyne in-vitro C/C(=C/[C@@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C\CC/C=C\C=C/[C@@H]1C ZINC000033954403 JG Annotated Anodyne in-vitro C/C=C(\C)C(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CC[C@H](O)[C@]21CO1 ZINC000033955388 JG Annotated Anodyne Nc1ncnc2cc(CN3CCN(Cc4cc(-c5ccc(Cl)s5)on4)CC3=O)ccc12 ZINC000033971725 JG Annotated Anodyne Cn1nc(C[C@@H](CC(=O)O)c2ccc3c(c2)OCO3)cc1OCCc1ccc2c(n1)NCCC2 ZINC000033972246 JG Annotated Anodyne Cn1nc(C[C@H](CC(=O)O)c2ccc3c(c2)OCO3)cc1OCCc1ccc2c(n1)NCCC2 ZINC000033972247 JG Annotated Anodyne N#Cc1ccc(Cn2cncc2CN(CCCN)[C@@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000034014557 JG Annotated Mild CN1CCNc2nc(CCOc3cc(C[C@@H](CC(=O)O)c4ccc5c(c4)OCO5)on3)ccc21 ZINC000034074684 JG Annotated Anodyne CN1CCNc2nc(CCOc3cc(C[C@H](CC(=O)O)c4ccc5c(c4)OCO5)on3)ccc21 ZINC000034074686 JG Annotated Anodyne NS(=O)(=O)c1ccc(Oc2ccc(NC(=O)N[C@@H]3[C@@H]4COc5c(F)ccc(F)c5[C@H]34)nc2)cc1 ZINC000034083753 JG Annotated Anodyne investigational C/C(=C\[C@@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@H]1OC(=O)/C=C/CC/C=C/C=C\[C@@H]1C ZINC000034096107 JG Annotated Anodyne C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C/CC/C=C/C=C\[C@@H]1C ZINC000034096112 JG Annotated Anodyne C[C@H](S[C@@H](C)C(=O)NN/C=C1\C=Nc2ccccc21)C(=O)NN/C=C1\C=Nc2ccccc21 ZINC000034098214 JG Annotated Reactive C[C@H](S[C@H](C)C(=O)NN/C=C1\C=Nc2ccccc21)C(=O)NN/C=C1\C=Nc2ccccc21 ZINC000034098215 JG Annotated Reactive C[C@@H](S[C@H](C)C(=O)NN/C=C1\C=Nc2ccccc21)C(=O)NN/C=C1\C=Nc2ccccc21 ZINC000034098216 JG Annotated Reactive CCCCn1c(=O)c2c(nc3n(Cc4cccs4)c(O)c(CCC)c(=O)n23)n(CCCC)c1=O ZINC000034108869 JG Annotated Anodyne CC(C)(C)[C@H]1COC(=O)CCC/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000034128012 JG Annotated Anodyne CC(C)(C)[C@H]1COC(=O)CCC/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000034128015 JG Annotated Anodyne O=C1CCC/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CO1 ZINC000034128017 JG Annotated Anodyne O=C1CCC/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CO1 ZINC000034128020 JG Annotated Anodyne CO[C@H]1COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C ZINC000034148686 JG Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C\[C@@H]1C ZINC000034148688 JG Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@@H]1C ZINC000034148690 JG Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C ZINC000034148880 JG Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C\[C@H]1C ZINC000034148882 JG Annotated Anodyne COc1c(-c2nc3nc(N4CCN(C)CC4)ccc3[nH]2)cc(OC)c2c1nc(CCl)n2C ZINC000034172830 JG Annotated Reactive COc1cc([C@H]2c3cc(OC(C)=O)c(OC)cc3C[C@H]3[C@@H](OC)OC[C@H]23)ccc1OC(C)=O ZINC000034204796 JG Annotated Anodyne C[C@H]1CCN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]12C(=O)N4 ZINC000034209185 JG Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCCC(=O)O)c2)c(OC)c1 ZINC000034209305 JG Annotated Anodyne CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N ZINC000034250446 JG Annotated Anodyne CO[C@@H]1C[C@@H]2C[C@@H]([C@@]3(C)[C@H](C)C[C@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H]3CCC[C@]43CO3)O[C@@H]2O1 ZINC000034294841 JG Annotated Anodyne CO[C@H]1C[C@@H]2C[C@@H]([C@@]3(C)[C@H](C)C[C@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H]3CCC[C@]43CO3)O[C@@H]2O1 ZINC000034294843 JG Annotated Anodyne COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1C[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C ZINC000034443125 JG Annotated Anodyne CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H]([C@@H]3C(=O)O[C@@H]4O[C@@H]43)C[C@H]3O[C@]321 ZINC000034445851 JG Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CC[C@H]3[C@@]2(C)C[C@H](OC(C)=O)C[C@@]3(C)COC(C)=O)[C@H]1C(=O)OC(CO)CO ZINC000034551548 JG Annotated Mild COc1ccc(-c2cnc3nc(N)nc(N4CCN(Cc5ccccc5F)CC4)c3n2)cc1OC ZINC000034587134 JG Annotated Anodyne CN1CCN(CCCN2N=C3/C(=C/c4ccccc4)CS(=O)(=O)C[C@H]3[C@H]2c2ccccc2)CC1 ZINC000034588907 JG Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(OC(C)=O)cc2OC(C)=O)c1 ZINC000034628307 JG Annotated Anodyne C=C1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@@]2(C)[C@@H]2C(=O)O[C@@](C)(C(=O)OC)C(=O)[C@@]12C ZINC000034637515 JG Annotated Mild CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(N(C)C3CCN(C)CC3)nc12 ZINC000034643822 JG Annotated Anodyne CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(C)nc1 ZINC000034662821 JG Annotated Anodyne O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc([S@@](=O)c2ncc(Br)cn2)cc1 ZINC000034663092 JG Annotated Bother O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc([S@](=O)c2ncc(Br)cn2)cc1 ZINC000034663093 JG Annotated Bother CCCC(=O)O[C@@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@@H](C(=O)OC)[C@H]3C(=O)OC[C@]32[C@@H]1O ZINC000034746128 JG Annotated Anodyne CO[C@H]1/C=C/CC/C=C/C(=O)O[C@@H](/C(C)=C/[C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)[C@@H](C)[C@@H]1O ZINC000034774543 JG Annotated Anodyne in-vitro Cn1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cc3)cc(O[C@H]3CCOC3)c2)n1 ZINC000034778298 JG Annotated Anodyne C/C=C(/C)C(=O)O[C@H](c1cc(OC)c2c(c1)OCO2)[C@H](C)OC(=O)[C@](C)(O)[C@H](C)OC(=O)CCC ZINC000034783940 JG Annotated Anodyne CC#Cc1cncc(-c2csc([C@]34CN(C(=O)c5cccc(F)c5)C[C@H]3C(=O)N(C)C(N)=N4)c2)c1 ZINC000034786914 JG Annotated Mild CN1C(=O)[C@@H]2CN(C(=O)c3ccccc3)C[C@]2(c2cc(-c3cccc(C#N)c3)cs2)N=C1N ZINC000034787145 JG Annotated Mild COc1cccnc1N1C[C@H]2C(=O)N(C)C(=N)N[C@@]2(c2cc(-c3cccc(C#N)c3)cs2)C1 ZINC000034787864 JG Annotated Mild COc1cc(C(=O)C(=O)N2[C@H]3CCC[C@@H]2C(=O)N2CCc4ccc(C)cc4[C@H]32)cc(OC)c1OC ZINC000034799833 JG Annotated Anodyne N#CNC(=N)NCCCn1c(-c2cc3ccccc3s2)c(C2=C(C#N)C(=O)NC2=O)c2ccccc21 ZINC000034800323 JG Annotated Reactive C=C1C[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@]4(C)C(=O)N(CCOC(C)=O)[C@@H]1O[C@@H]3[C@@H](OC(C)=O)[C@H]42 ZINC000034827262 JG Annotated Mild CCOC(=O)c1cc(C#N)c(N2CC(/C(O)=N/S(=O)(=O)Cc3ccc(Cl)cc3)C2)nc1C ZINC000034845289 JG Annotated Mild CCOC(=O)c1cc(C#N)c(N2CCC(/C(O)=N/S(=O)(=O)Cc3ccc(F)cc3)CC2)nc1C ZINC000034846305 JG Annotated Mild CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000034847069 JG Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000034847070 JG Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000034847071 JG Annotated Anodyne Cc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000034847072 JG Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000034847379 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000034847380 JG Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000034847381 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000034847382 JG Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(CCC(C)C)[C@H](C(=O)NC4CCCCC4)[C@]34C=C[C@H]2O4)c1 ZINC000034847402 JG Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(CCC(C)C)[C@@H](C(=O)NC4CCCCC4)[C@]34C=C[C@H]2O4)c1 ZINC000034847403 JG Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000034847408 JG Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000034847410 JG Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc3[nH]cc(/C(O)=N/Cc4ccc5c(c4)OCO5)c(=O)c3c2)CC1 ZINC000034858104 JG Annotated Mild COc1ccccc1/N=C(\O)Cn1cnc2sc(C(=O)N3CCC(C(=N)O)CC3)c(C)c2c1=O ZINC000034858298 JG Annotated Mild O=C(Nc1ccc(Br)cc1)c1ccc(F)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000034860543 JG Annotated Anodyne O=C(Nc1ccc(Br)cc1)c1ccc(F)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000034860547 JG Annotated Anodyne CCOc1ccc(Cc2nc3cc(N/C(N)=N/[N+](=O)[O-])ccc3n2CCN(CC)CC)cc1 ZINC000034875296 JG Annotated Mild CC(=O)O[C@H]1CC(=O)O[C@H]2C[C@H](CC/C(Cl)=C\C/C=C\1C)O[C@H]2[C@H](O)/C=C(\C)CC(=O)O ZINC000034950540 JG Annotated Anodyne CCCc1nc(-c2ccc(F)cc2)oc1C(=O)N[C@H](C)CN1CCN(c2cnccn2)CC1 ZINC000034987765 JG Annotated Anodyne CCOC(=O)[C@@H]1ON2O[C@H](O[C@H]3CCCC3(c3ccccc3)c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@H]32 ZINC000003588392 JG Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(F)ccc(Br)c12 ZINC000003591429 JG Annotated Anodyne COc1ccc(Br)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12 ZINC000003591431 JG Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(OCC(F)(F)F)ccc(F)c12 ZINC000003591436 JG Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cc(F)c(Br)c(F)c12 ZINC000003591438 JG Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(Br)cc(F)cc12 ZINC000003591442 JG Annotated Anodyne CN(C)CCCNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003619919 JG Annotated Anodyne CN(C)CCCNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003619922 JG Annotated Anodyne O=C(Nc1ccc(-c2cn3c(O)c4ncn(COCCO)c4nc3n2)cc1)Oc1ccccc1 ZINC000003626342 JG Annotated Anodyne O=C1NC(=O)/C(=C2\CN(Cc3ccc(Br)cc3)S(=O)(=O)c3ccccc32)S1 ZINC000003630151 JG Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000003631013 JG Annotated Mild Cc1sc2ncn(CC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1 ZINC000003650598 JG Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)c21 ZINC000003654955 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000003658597 JG Annotated Anodyne CN1C(=O)[C@@]23CCCN2C[C@@]12C[C@@]1(C(=O)Nc4c1ccc1c4OC=CC(C)(C)O1)C(C)(C)[C@@H]2C3 ZINC000003795210 JG Annotated Anodyne CN(C(=O)CN(C(=O)CNC(=O)Nc1cccc(CC(=O)O)c1)c1ccccc1)c1ccccc1 ZINC000003798378 JG Annotated Anodyne in-vitro C=CC(C)(C)[C@@]12C[C@@]3(O)c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000003802698 JG Annotated Mild COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCN(C)CC3)c3ccccc32)c2ccccc12 ZINC000003816874 JG Annotated Anodyne CC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)/C=C/c4ccc(O)cc4)CC3)c(F)c2)C(=O)O1 ZINC000003818204 JG Annotated Anodyne CC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)/C=C/c4ccco4)CC3)c(F)c2)C(=O)O1 ZINC000003818207 JG Annotated Anodyne O=C(O)C[C@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)n[nH]1)c1ccc2c(c1)OCO2 ZINC000003820798 JG Annotated Anodyne N[C@@H](CS)C(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000003821289 JG Annotated Mild COC[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000003827195 JG Annotated Anodyne C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]21 ZINC000003830350 JG Annotated Mild in-vitro C=CCN1C[C@@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]21 ZINC000003830351 JG Annotated Mild C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 ZINC000003830352 JG Annotated Mild N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)[C@H](C4CC4)[C@H]3[C@@H]3CCCN32)cc1 ZINC000003832149 JG Annotated Anodyne N=C1NC(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)S1 ZINC000003850284 JG Annotated Anodyne COC(=O)c1c(C)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(OC)c(OC)c(OC)c4[nH]1)C3=CC2=O ZINC000003920550 JG Annotated Mild CN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12 ZINC000003941147 JG Annotated Anodyne CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C(=O)O)N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000003941267 JG Annotated Anodyne Cc1ncc([C@@H](CC(=O)O)CC2CCN(C(=O)CCc3ccc4c(n3)NCCC4)CC2)cn1 ZINC000003948004 JG Annotated Anodyne COc1ncc([C@H](CC(=O)O)CC2CCN(C(=O)CCc3ccc4c(n3)NCCC4)CC2)c(OC)n1 ZINC000003948007 JG Annotated Anodyne COc1cc(O)c2c(c1C)C(=O)O[C@H](CO)CC/C(S)=N/[C@H](c1nc(C)no1)CSC2 ZINC000003948734 JG Annotated Anodyne COc1cc(O)c2c(c1C)C(=O)O[C@H](CO)CCC/C(S)=N/[C@H](c1nc(C)no1)CSC2 ZINC000003948735 JG Annotated Anodyne O=C(NCCCc1nc2nc(N(CCO)Cc3ccccc3)ccc2[nH]c1=O)OCc1ccccc1 ZINC000003955288 JG Annotated Anodyne O=C(Nc1ccncc1)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000003955529 JG Annotated Anodyne CC(C)N(CCO)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1 ZINC000003956671 JG Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCCC2=O)[C@H]1c1c[nH]c2ccccc12 ZINC000003960190 JG Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCCC2=O)[C@@H]1c1c[nH]c2ccccc12 ZINC000003960198 JG Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCCC2=O)[C@H]1c1c[nH]c2ccccc12 ZINC000003960201 JG Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCCC2=O)[C@@H]1c1c[nH]c2ccccc12 ZINC000003960208 JG Annotated Anodyne CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(Cc2ccc(S(C)(=O)=O)cc2)s1 ZINC000003962673 JG Annotated Anodyne COc1ccc([C@H]2Oc3c(I)c(OC)cc(OC)c3C[C@@H]2O)cc1OC ZINC000003978527 JG Annotated Anodyne in-vitro COc1ccc([C@H](CC(=O)O)N2CCN(CCCc3ccc4c(n3)N[C@H](C)CC4)C2=O)cn1 ZINC000003986699 JG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3cccc(C(N)=O)c3)c(F)c2)C(=O)O1 ZINC000003992360 JG Annotated Anodyne COc1cc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3CCC[C@H]23)c(C)cc1OCC(=O)O ZINC000035003008 JG Annotated Bother COc1cc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3CCC[C@H]23)c(C)cc1OCC(=O)O ZINC000035003011 JG Annotated Bother COc1cc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3CCC[C@@H]23)c(C)cc1OCC(=O)O ZINC000035003014 JG Annotated Bother COc1cc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3CCC[C@@H]23)c(C)cc1OCC(=O)O ZINC000035003017 JG Annotated Bother COC1=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]3[C@@H]1OC(=O)[C@@]1(CCC(C)C)CC(=O)O1)OCO4 ZINC000035027624 JG Annotated Anodyne COc1ccc([C@@]2(O)c3c(ccc(/C=C/[C@]4(C)CC[C@@H](O)C(C)(C)O4)c3O)NC(=O)[C@@H]2OC)cc1 ZINC000035049118 JG Annotated Anodyne COC(=O)c1c(C)cc2c(c(C)c1=O)O[C@@]1(C)CC[C@H]3C(C)(C)OC(=O)C[C@@H](O)[C@]3(C)[C@@H]1C2 ZINC000035051087 JG Annotated Anodyne CCCN1C(=O)/C(=c2/sc3nc(-c4ccc(F)cc4)nn3c2=O)c2cc(Br)ccc21 ZINC000035060932 JG Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2[C@]1(OCCOC(C)=O)c1ccccc1 ZINC000035064245 JG Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2[C@@]1(OCCOC(C)=O)c1ccccc1 ZINC000035064249 JG Annotated Anodyne COC(=O)[C@@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2[C@]1(OCCOC(C)=O)c1ccccc1 ZINC000035064252 JG Annotated Anodyne COC(=O)[C@@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2[C@@]1(OCCOC(C)=O)c1ccccc1 ZINC000035064255 JG Annotated Anodyne COc1cc2c3c(n(CCCn4cccn4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 ZINC000035064622 JG Annotated Clean COc1cc2c3c(n(CCCNC4=NCCS4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 ZINC000035064628 JG Annotated Clean COc1cc2c3c(n(CCCN4CCSCC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 ZINC000035064631 JG Annotated Clean COc1ccc([C@@]2(O)c3c(ccc(/C=C/[C@@]4(C)CC[C@@H](C(C)(C)O)O4)c3O)NC(=O)[C@@H]2OC)cc1 ZINC000035066215 JG Annotated Anodyne COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1 ZINC000035075515 JG Annotated Anodyne COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1 ZINC000035075526 JG Annotated Anodyne CC[C@@H]1CN2CC[C@@]34OCCO[C@@]3(Nc3ccc(F)c(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000035075811 JG Annotated Anodyne CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1cc(Cl)c(F)cc1F)C2)S(C)(=O)=O ZINC000035078402 JG Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@H](O[C@@H](CC(C)=O)[C@@H]31)[C@](C)(CCC(=O)O)OC(=O)[C@@H]2C ZINC000035086299 JG Annotated Anodyne O=C(C[C@@H]1C/C=C\CCCC(=O)O[C@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000035200563 JG Annotated Anodyne O=C(C[C@@H]1C/C=C/CCCC(=O)O[C@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000035200568 JG Annotated Anodyne O=c1[nH]ccn1-c1cc(O)c(Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)cc1Cl ZINC000035242409 JG Annotated Clean CCOC(=O)c1c(C(F)(F)F)nn2c(=O)n(-c3cc(C(F)(F)F)ccc3Cl)nnc12 ZINC000035245071 JG Annotated Anodyne CCOC(=O)c1c(C(F)(F)F)nn2c(=O)n(-c3ccc(Cl)cc3C(F)(F)F)nnc12 ZINC000035245087 JG Annotated Anodyne CCOC(=O)c1c(C(F)(F)F)nn2c(=O)n(-c3ccc(Cl)c(C(F)(F)F)c3)nnc12 ZINC000035245094 JG Annotated Anodyne C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](OC(C)=O)[C@H](O)[C@@]2(C=O)C(C=O)=C[C@H](OC(=O)CCC)C[C@@H]12 ZINC000035259351 JG Annotated Reactive Cn1c(=O)c(CCO)c(-c2cc(Cl)cc(C[C@H](O)CO)c2O)c2cc(C(F)(F)F)ccc21 ZINC000035259913 JG Annotated Anodyne Cn1c(=O)c(CCO)c(-c2cc(Cl)cc(C[C@@H](O)CO)c2O)c2cc(C(F)(F)F)ccc21 ZINC000035259914 JG Annotated Anodyne O=C1[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc2c(c1)CCCNC2 ZINC000035261452 JG Annotated Anodyne C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@H]([C@H](C)O)[C@H](O)[C@H]3O)c21 ZINC000035269555 JG Annotated Anodyne CCOC(=O)Nc1ccc(S(=O)(=O)n2c(C3(O)C=CC(=O)C=C3)cc3ccccc32)cc1 ZINC000035323186 JG Annotated Mild COC(=O)CCc1ccc(S(=O)(=O)n2c(C3(O)C=CC(=O)C=C3)cc3ccc(F)cc32)cc1 ZINC000035323195 JG Annotated Mild CO/N=C(/C(=O)OC)c1ccccc1CSc1nnc(CSc2nc3nc(C)cc(C)n3n2)o1 ZINC000035329158 JG Annotated Mild Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)N(C3CC3)C(=O)[C@H]24)cc1C ZINC000035394269 JG Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)N(C3CC3)C(=O)[C@H]24)cc1C ZINC000035394271 JG Annotated Anodyne CC(=O)O[C@@H]1CC[C@@](C)(O)[C@@H]2O[C@@H](C[C@@]1(C)O)[C@@H](C(C)C)[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000035454811 JG Annotated Anodyne CC(=O)O[C@@H]1CC[C@@](C)(O)[C@@H]2O[C@@H](C[C@@]1(C)O)[C@H](C(C)C)[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000035454814 JG Annotated Anodyne CC(=O)O[C@@H]1CC[C@@](C)(O)[C@@H]2O[C@H](C[C@@]1(C)O)[C@@H](C(C)C)[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000035454818 JG Annotated Anodyne CC(=O)O[C@@H]1CC[C@@](C)(O)[C@@H]2O[C@H](C[C@@]1(C)O)[C@H](C(C)C)[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000035454822 JG Annotated Anodyne Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)c1C ZINC000035489064 JG Annotated Anodyne Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c1C ZINC000035489073 JG Annotated Anodyne CCOC(=O)CCc1c(C)nc2nc(NCc3cc(Br)ccc3OC)nn2c1O ZINC000035562371 JG Annotated Anodyne CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(C)nc1C ZINC000035802577 JG Annotated Anodyne CCOC(=O)c1cnc(N2CC(/C(O)=N/S(=O)(=O)c3ccc(Cl)s3)C2)c(Cl)c1 ZINC000035821119 JG Annotated Mild COc1ccc2nccc(N3CC[C@H](SCCNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1 ZINC000035834574 JG Annotated Anodyne COc1ccc2nccc(N3CC[C@@H](SCCNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1 ZINC000035834577 JG Annotated Anodyne CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000035850165 JG Annotated Anodyne CN[C@@H]1CCc2cc(N3CC[C@H](NS(=O)(=O)c4ccc5c(Cl)c[nH]c5c4)C3=O)ccc21 ZINC000035880101 JG Annotated Anodyne CN[C@H]1CCc2cc(N3CC[C@H](NS(=O)(=O)c4ccc5c(Cl)c[nH]c5c4)C3=O)ccc21 ZINC000035880102 JG Annotated Anodyne CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccc(F)cc3)nc(N3CCNCC3)nc12 ZINC000035880287 JG Annotated Anodyne COc1ccc2c(-n3c(=O)n(Cc4cccc([C@@]5(C)OC(=O)NC5=O)c4)c4ccccc43)noc2c1 ZINC000035880684 JG Annotated Anodyne Cc1nsc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cc3)cc(O[C@@H](C)CO)c2)n1 ZINC000035985195 JG Annotated Anodyne CN[C@@]12CN3[C@@H](CCC[C@H]3C)C[C@@]1(O)C(C)(C)[C@@]1(C2)C(=O)Nc2c(C(=O)[C@H]3OC3(C)C)cccc21 ZINC000035985431 JG Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000036066159 JG Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000036066160 JG Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N([C@H](C)CC)[C@H](C(=O)NC4CCCCC4)[C@]34C=C[C@H]2O4)cc1 ZINC000036066323 JG Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N([C@@H](C)CC)[C@H](C(=O)NC4CCCCC4)[C@]34C=C[C@H]2O4)cc1 ZINC000036066324 JG Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N([C@H](C)CC)[C@@H](C(=O)NC4CCCCC4)[C@]34C=C[C@H]2O4)cc1 ZINC000036066325 JG Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N([C@@H](C)CC)[C@@H](C(=O)NC4CCCCC4)[C@]34C=C[C@H]2O4)cc1 ZINC000036066326 JG Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(OCC)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066327 JG Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(OCC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036066328 JG Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066388 JG Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036066390 JG Annotated Anodyne Cc1ccc(N/C(=N/C#N)Nc2ccccc2Br)c(O)c1S(=O)(=O)N(C)C ZINC000036143844 JG Annotated Mild C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cccc(F)c2-c2nnn(C)n2)cc1F ZINC000036161687 JG Annotated Anodyne CN1C[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2NS1(=O)=O ZINC000036175617 JG Annotated Anodyne CN1CCN(C/C=C/c2ccccc2S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3)CC1 ZINC000036178054 JG Annotated Anodyne CCN(C/C=C/c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2)CCO ZINC000036178065 JG Annotated Anodyne COc1cccc(CC(Cc2ccc(NS(=O)(=O)O)cc2)(c2nc(C)no2)c2nc(C)no2)c1 ZINC000036179137 JG Annotated Anodyne COc1ccc(CC(Cc2ccc(NS(=O)(=O)O)cc2)(c2nc(C)no2)c2nc(C)no2)cc1 ZINC000036179153 JG Annotated Anodyne CCC(C)(CC)OC(=O)C[C@H](C)NC(=O)C1=NO[C@H](C(O)(C(F)(F)F)C(F)(F)F)C1 ZINC000036184812 JG Annotated Anodyne CCC(C)(CC)OC(=O)C[C@H](C)NC(=O)C1=NO[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C1 ZINC000036184813 JG Annotated Anodyne CNC[C@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C[C@@H](N)Cc1ccc(O)cc1 ZINC000036216220 JG Annotated Anodyne CNC[C@@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](N)Cc1ccc(O)cc1 ZINC000036216351 JG Annotated Anodyne CCCCCCCC[C@H](N[C@@H](CC)C(=O)N1C(=O)N(Cc2ccccc2)C[C@H]1C(=O)O)C(=O)O ZINC000036222718 JG Annotated Mild COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCC1CCNCC1 ZINC000036284570 JG Annotated Mild Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c12 ZINC000036300687 JG Annotated Anodyne CC(C)[C@@H](C(=O)N[C@H]1CCCC[C@H]1C(=O)O)N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000036311067 JG Annotated Anodyne COc1ccc(N2CCN(CCNCc3ccc(CN4CCCCC4)o3)C2=C(C#N)C#N)cc1 ZINC000036338476 JG Annotated Reactive COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCC#N)n4)c3n2)cc(OC)c1OC ZINC000036348727 JG Annotated Mild COc1cc(Nc2ncc3ccn(-c4cccc(CCc5nnn[nH]5)c4)c3n2)cc(OC)c1OC ZINC000036348818 JG Annotated Anodyne COc1cc(Nc2ncc3ccn(-c4cccc(Cc5nnn[nH]5)c4)c3n2)cc(OC)c1OC ZINC000036348838 JG Annotated Anodyne O=C1C(C2=NS(=O)(=O)c3ccccc3N2)=C(O)[C@H](Cc2cccnc2)N1Cc1ccc(F)cc1 ZINC000036350377 JG Annotated Anodyne C=CC[C@@]1(C(=O)NCCCOC)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036375493 JG Annotated Mild COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(c2ccc(OCCCO)cc2)=N1 ZINC000036375524 JG Annotated Clean C=CC[C@]1(C(=O)NCCCOC)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000036375930 JG Annotated Mild C=CC[C@@]1(C(=O)N2CCOCC2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036375977 JG Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCN2CCOCC2)=N[C@H]1CCc1ccccc1 ZINC000036379145 JG Annotated Anodyne O=C(CN1C(=O)N/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O)Nc1cccc(Cl)c1 ZINC000036380139 JG Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23CCC(=O)N(CC2CC2)C3=N1 ZINC000036381579 JG Annotated Anodyne COCc1cc2cc3c(cc2c2c(C(=O)OC)c(C(=O)OC)c(C(=O)OC(C)(C)C)n12)OCO3 ZINC000036381618 JG Annotated Anodyne COC(=O)C(C(=O)OC)[C@@H]1O[C@]23CN(S(=O)(=O)c4ccc(C)cc4)C=C[C@@]2(C)[C@@H]3c2ccccc21 ZINC000036381755 JG Annotated Anodyne COc1ncc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NCc4ccco4)c2C3=O)cn1 ZINC000036382287 JG Annotated Anodyne CCCSc1ccc([C@@H]2[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@]3(C(=O)OC)CCCCN23)cc1OC ZINC000036382337 JG Annotated Anodyne Cc1ccc(OCCNC(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)cc1 ZINC000036382362 JG Annotated Anodyne Cc1ccc(OCCNC(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)cc1 ZINC000036382363 JG Annotated Anodyne CC[C@@H](C)Sc1ccc([C@@H]2[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@]3(C(=O)OC)CCCN23)cc1OC ZINC000036382426 JG Annotated Anodyne CC[C@H](C)Sc1ccc([C@@H]2[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@]3(C(=O)OC)CCCN23)cc1OC ZINC000036382427 JG Annotated Anodyne CC(C)C[C@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000036382440 JG Annotated Anodyne CC(C)C[C@@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000036382441 JG Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)OCC3CCCCC3)C(C)(C)S[C@H]12 ZINC000036383128 JG Annotated Anodyne CCOC(=O)C[C@H]1c2cc(F)ccc2S(=O)(=O)N1Cc1cc(OC)c(OC)c(OC)c1 ZINC000036383139 JG Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCCNC(C)=O ZINC000036384238 JG Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCCO ZINC000036384254 JG Annotated Anodyne COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCNC(C)=O ZINC000036384309 JG Annotated Anodyne COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccc(OC)cc1 ZINC000036384314 JG Annotated Anodyne COC(=O)[C@]1(CC(C)C)N[C@H](c2ccc(-c3ccc(OC)cc3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000036386421 JG Annotated Anodyne COC(=O)[C@]1(C)N[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)c(OC)c2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000036386427 JG Annotated Anodyne COC(=O)[C@]1(CC(C)C)N[C@H](c2ccc(-c3ccc(F)cc3)c(OC)c2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000036386435 JG Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000036386436 JG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3cccc(Cl)c3)c(OC)c1)N[C@@]2(C)C(=O)OC ZINC000036386443 JG Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccc(C(C)=O)cc3)c(OC)c1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000036386465 JG Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(C(C)=O)cc4)cc3)N3CCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000036386472 JG Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccc(OC)cc3)c(OC)c1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000036386474 JG Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccc(F)cc3)c(OC)c1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000036386476 JG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(OC)cc3)cc1)N1CCCC[C@@]21C(=O)OC ZINC000036386481 JG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3cc(C(C)=O)cs3)cc1)N1CCC[C@@]21C(=O)OC ZINC000036386484 JG Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(F)cc4)c(OC)c3)N3CCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000036386485 JG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(OC)cc3)c(OC)c1)N1CCCC[C@@]21C(=O)OC ZINC000036386487 JG Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccc(C(C)=O)cc3)cc1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000036386493 JG Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3cc(C(C)=O)cs3)cc1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000036386513 JG Annotated Anodyne CC[C@@H](C)Sc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1OC ZINC000036386519 JG Annotated Anodyne CC[C@H](C)Sc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1OC ZINC000036386520 JG Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3cc(C(C)=O)cs3)c(OC)c1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000036386522 JG Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(OC)cc4)c(OC)c3)N3CCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000036386525 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)c3ccc(C)cc3NC(=O)[C@@]12C ZINC000036387212 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)c3cc(C)ccc3NC(=O)[C@@]12C ZINC000036387213 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)c3cc(F)c(F)cc3NC(=O)[C@@]12C ZINC000036387217 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(OC)cc3[C@@H]2N2C(=O)c3ccc(C)cc3NC(=O)[C@@]12C ZINC000036387221 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(OC)cc3[C@@H]2N2C(=O)c3cc(C)ccc3NC(=O)[C@@]12C ZINC000036387222 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(OC)cc3[C@@H]2N2C(=O)c3cc(F)c(F)cc3NC(=O)[C@@]12C ZINC000036387225 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)c3cc(OC)ccc3NC(=O)[C@@]12C ZINC000036387233 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)c3cc(F)c(F)cc3NC(=O)[C@@]12C ZINC000036387234 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)c3cc(OC)c(OC)cc3NC(=O)[C@@]12C ZINC000036387235 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)c3cc(OC)ccc3NC(=O)[C@@]12C ZINC000036387243 JG Annotated Anodyne CC1CCN(C(=O)c2[nH]cnc2C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000036388179 JG Annotated Anodyne COC(=O)C1=C(c2cccc3c2S(=O)(=O)c2ccccc2-3)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 ZINC000036388442 JG Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1 ZINC000036388492 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)CN(Cc3ccc(C)cc3)C(=O)[C@@]12C ZINC000036389021 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)CN(Cc3ccc(F)cc3)C(=O)[C@@]12C ZINC000036389022 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)CN(Cc3ccc(F)cc3)C(=O)[C@@]12C ZINC000036389031 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)CN(Cc3ccc(OC)cc3)C(=O)[C@@]12C ZINC000036389033 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)CN(Cc3ccccc3)C(=O)[C@@]12C ZINC000036389034 JG Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)CN(C[C@@H]3CCCO3)C(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000036389056 JG Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)CN(C[C@H]3CCCO3)C(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000036389057 JG Annotated Anodyne COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N(C[C@@H]3CCCO3)CC(=O)N12 ZINC000036389058 JG Annotated Anodyne COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N(C[C@H]3CCCO3)CC(=O)N12 ZINC000036389059 JG Annotated Anodyne Cc1ccc(CNC(=O)c2cccc3c2C(=O)c2ccc(N4CCOCC4)cc2S3(=O)=O)cc1 ZINC000036389422 JG Annotated Anodyne C[C@H]1CC2=C3C1=C[C@@]1(C)C[C@H](O)[C@](C)(C[C@H](O)[C@H](O)[C@@](C)(O)CO)[C@H]1[C@@H]3CC/C2=C\Cl ZINC000036403951 JG Annotated Anodyne CNC(=O)c1cc2ccc(CCNC(=O)Nc3cccc(S(=O)(=O)C(F)(F)F)c3)cc2cn1 ZINC000036411366 JG Annotated Anodyne CCC[C@H]1CCCC(=O)N[C@@H](CO)CCC[C@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O1 ZINC000036412542 JG Annotated Anodyne N#CC(C#N)=C(Nc1cccc2c(Cl)c[nH]c12)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O ZINC000036413573 JG Annotated Reactive CC(/C=C/C(=O)O[C@@H]1C=CC(=O)O[C@@H]1[C@@H](C)C[C@@H](C)C[C@@]1(C)O[C@@H]1C)=C\[C@@H](CO)CCO ZINC000036426406 JG Annotated Anodyne COc1cc([C@H](Cc2ccccc2)n2cc(C(N)=O)c(Cc3ccccc3)cc2=O)oc(=O)c1 ZINC000036426547 JG Annotated Anodyne COC(=O)[C@H](Cc1ccc(-c2c(OC)cnn(C)c2=O)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000036435941 JG Annotated Anodyne C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@H]1C[C@@](C)(O)[C@](C)(O)[C@@H](O)O1 ZINC000036465477 JG Annotated Mild C=C[C@@](C)(O)C[C@@H](OC(C)=O)[C@]1(C)C2=C([C@H](OC(C)=O)C[C@@H]1C)[C@@](C)(COC(C)=O)C(=O)CC2 ZINC000036471947 JG Annotated Mild C=C[C@@](C)(O)C[C@H](OC(C)=O)[C@]1(C)C2=C([C@H](OC(C)=O)C[C@@H]1C)[C@@](C)(COC(C)=O)C(=O)CC2 ZINC000036471948 JG Annotated Mild C=C[C@](C)(O)C[C@@H](OC(C)=O)[C@]1(C)C2=C([C@H](OC(C)=O)C[C@@H]1C)[C@@](C)(COC(C)=O)C(=O)CC2 ZINC000036471949 JG Annotated Mild C=C[C@](C)(O)C[C@H](OC(C)=O)[C@]1(C)C2=C([C@H](OC(C)=O)C[C@@H]1C)[C@@](C)(COC(C)=O)C(=O)CC2 ZINC000036471950 JG Annotated Mild Cc1ccc(S(=O)(=O)n2c(CCN3C(=O)C=CC3=O)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000036474096 JG Annotated Anodyne O=C1[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc2c(c1)CCNC2 ZINC000036475868 JG Annotated Anodyne CCCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN([C@@H]1CCOC1)CC2 ZINC000036479035 JG Annotated Anodyne CCCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN([C@H]1CCOC1)CC2 ZINC000036479036 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CNC[C@@H](C(=O)NCC3c4ccccc4Oc4ccccc43)C2)cc1 ZINC000036520222 JG Annotated Anodyne Cc1ccc(C(N)=O)cc1Nc1nc(N[C@H]2CCNC2)nc(N(C)C[C@@H](C)c2ccccc2)n1 ZINC000036761672 JG Annotated Anodyne Cc1ccc(C(N)=O)cc1Nc1nc(N[C@H]2CCNC2)nc(N(C)C[C@H](C)c2ccccc2)n1 ZINC000036761675 JG Annotated Anodyne Cc1ccc(C(N)=O)cc1Nc1nc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(N[C@H]2CCNC2)n1 ZINC000036761680 JG Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cccc(-c4ccc(Cn5ccccc5=N)cc4)c3)C[C@H]12 ZINC000377466658 JG Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cccc(-c4ccc(Cn5ccccc5=N)cc4)c3)C[C@H]12 ZINC000377661082 JG Annotated Anodyne CC(C)Cc1ccc([C@H](C)C(=O)Oc2cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000377841252 JG Annotated Reactive CC(C)Cc1ccc([C@@H](C)C(=O)Oc2cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000377841253 JG Annotated Reactive COC(=O)C1=Cc2cc3c(cc2-c2c(cc(OC)c(OC)c2OC)C=C1C(=O)OC)OCO3 ZINC000377848783 JG Annotated Anodyne CCn1c(C)cc(=N)c2cc(N=c3[nH]c(=N)[nH]c(=Nc4ccc5c(c4)c(=N)cc(C)n5CC)[nH]3)ccc21 ZINC000377848797 JG Annotated Anodyne Cc1[nH]c2cc([C@@H]3CCCCN3C(=O)c3c(Cl)cccc3NS(C)(=O)=O)nn2c(=O)c1C ZINC000377853420 JG Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](O)[C@@H]2[C@](C)(C(=O)OC)C=CC(=O)[C@@]21C ZINC000038139561 JG Annotated Mild CS(=O)(=O)CCCn1c(Cn2c(=O)n(CCCCC#N)c3ccccc32)nc2ccccc21 ZINC000038142816 JG Annotated Mild C[C@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)OCC3CCCCC3)C(C)(C)S[C@H]12 ZINC000038143070 JG Annotated Anodyne Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2/C1=N\OCCN1CCNCC1 ZINC000038143430 JG Annotated Mild ClCCCc1cn(C[C@H]2CC[C@@H]([C@@H]3CC[C@H](Cn4cc(CCCCl)nn4)O3)O2)nn1 ZINC000038145429 JG Annotated Reactive CCN1/C(=C/C=c2/c(=O)s/c(=C\c3sc4ccccc4[n+]3CC)n2C)Oc2ccccc21 ZINC000038146325 JG Annotated Anodyne CCN1/C(=C/C=c2\s/c(=C/c3sc4ccccc4[n+]3CC)n(C)c2=O)Oc2ccccc21 ZINC000038146334 JG Annotated Anodyne CCn1c(=O)/c(=C2\SCCN2C)s/c1=C/c1sc2ccc3ccccc3c2[n+]1CC ZINC000038146364 JG Annotated Anodyne Cc1cc(CN2CCN(C)CC2)ccc1NC(=O)CSc1nnc(C)n1-c1ccccc1 ZINC000038151349 JG Annotated Anodyne CCCCCCCCn1c2nc(=O)n(CC(=O)OCC)c(=O)c-2cc2cccc([N+](=O)[O-])c21 ZINC000038152088 JG Annotated Mild CCCCCCCCn1c2nc(=O)n(CC(=O)OCC)c(=O)c-2cc2ccc([N+](=O)[O-])cc21 ZINC000038152090 JG Annotated Mild CCCCCCCCn1c2nc(=O)n(CC(=O)OCC)c(=O)c-2cc2c([N+](=O)[O-])cccc21 ZINC000038152096 JG Annotated Mild C/C(=N\NC(=N)N)c1ccc(NC(=O)c2ccc(Nc3cc[n+](C)c4ccc(N)cc34)cc2N)cc1 ZINC000038174048 JG Annotated Mild COc1cc(OC)c2c(=O)c3cc([N+](=O)[O-])c(N4CCN(c5ccccn5)CC4)cc3n(C)c2c1 ZINC000038211379 JG Annotated Bother CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1ccc(C)nc1C ZINC000038256069 JG Annotated Anodyne COc1cc(O)c2c(=O)c3cc([N+](=O)[O-])c(N4CCN(c5ccccn5)CC4)cc3n(C)c2c1 ZINC000038269704 JG Annotated Bother CC(=O)/N=c1/[nH]c2ccc(CCNC(=O)Nc3cc(C(F)(F)F)c(Cl)cc3OCCN)cc2[nH]1 ZINC000038324074 JG Annotated Anodyne O=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3cccc(F)c3C(F)(F)F)CC2)nn1 ZINC000038335865 JG Annotated Anodyne CC(/C=C/C(=O)O[C@@H]1C=CC(=O)O[C@@H]1[C@@H](C)C[C@@H](C)C[C@]1(C)O[C@H]1C)=C\[C@@H](CO)CCO ZINC000038347657 JG Annotated Anodyne in-vitro biogenic CCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N ZINC000038403857 JG Annotated Anodyne O[C@H]1C(NCC[C@@H]2CCCCN2)=NC[C@@H](Cl)N1CCNCc1csc2ccc(Cl)cc12 ZINC000038420919 JG Annotated Reactive O[C@H]1C(NCC[C@@H]2CCCCN2)=NC[C@H](Cl)N1CCNCc1csc2ccc(Cl)cc12 ZINC000038420921 JG Annotated Reactive in-vivo CC(C)=CC/N=C(\N)NCCC[C@@H]1Nc2ccc(C(=O)O)cc2[C@@H]2[C@H]1CCN2/C(N)=N/CC=C(C)C ZINC000038432340 JG Annotated Mild CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(N)cc(C(F)(F)F)c1 ZINC000038473788 JG Annotated Anodyne CC(C)C[C@H](C(N)=O)N(CCCCCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000038481173 JG Annotated Anodyne CS(=O)(=O)Nn1c(Sc2ccccc2C(=O)O)nc2sc(-c3ccccc3)cc2c1=O ZINC000038515444 JG Annotated Anodyne CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@](C)(CC[C@H](O)C(C)(C)O)[C@H]1/C=C/OC(=O)C=C(C)C ZINC000038801168 JG Annotated Mild in-vitro biogenic CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@](C)(CC[C@@H](O)C(C)(C)O)[C@H]1/C=C/OC(=O)C=C(C)C ZINC000038801169 JG Annotated Mild CC(C)(O)[C@H]1O[C@@]2(O)CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000038841541 JG Annotated Mild C=C1[C@H]2OC(=O)C=C(C)[C@H]2C[C@H]2C([C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@@H](OC(C)=O)[C@H]12 ZINC000038858317 JG Annotated Mild C=C1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C ZINC000038911193 JG Annotated Mild C=C1C[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@](C)(C(=O)N4CCO[C@H]41)[C@H]2[C@H](OC(C)=O)[C@H]3OC(C)=O ZINC000038969879 JG Annotated Mild CC1=C2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4C[C@@](O)([C@]23C)[C@@]2(OC(=O)C(C)=C2C)C1=O ZINC000038992765 JG Annotated Mild CC1=C(C)[C@]2(OC1=O)C(=O)C(CO)=C1CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@]2(O)[C@]13C ZINC000038992766 JG Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@H]2CC[C@H](OC(=O)/C=C/[S@](C)=O)[C@H](C)[C@@]12C ZINC000038992770 JG Annotated Anodyne CC(C)[C@H](N)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000039014456 JG Annotated Anodyne CC1(C)C=CN2C(=O)[C@H]3C[C@@]4(O)c5ccccc5N[C@H]4N3C(=O)C2=Cc2c1[nH]c1ccccc21 ZINC000039035504 JG Annotated Anodyne CC1(C)/C=C/N2C(=O)[C@H]3C[C@@]4(O)c5ccccc5N[C@H]4N3C(=O)C2=Cc2c1[nH]c1ccccc21 ZINC000039035505 JG Annotated Anodyne NCCCOc1c(Br)cc(CCN/C=C2/C(=O)C[C@H](Cl)C2=O)cc1Br ZINC000039036761 JG Annotated Reactive CC(=O)OC/C=C(\COC(C)=O)[C@H](C[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@]2(O)CO)OC(C)=O ZINC000039109590 JG Annotated Anodyne CC(=O)OC/C=C(\COC(C)=O)[C@@H](C[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@]2(O)CO)OC(C)=O ZINC000039109594 JG Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1 ZINC000039145692 JG Annotated Mild O=C1C(=Cc2ccc([N+](=O)[O-])s2)C(=O)N(Cc2ccccc2)S(=O)(=O)N1Cc1ccccc1 ZINC000039146180 JG Annotated Bother O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N(Cc2ccccc2)S(=O)(=O)N1Cc1ccccc1 ZINC000039183402 JG Annotated Bother CN(c1ccccc1)c1cc(NCc2cccs2)c(S(=O)(=O)O)cc1S(N)(=O)=O ZINC000039298597 JG Annotated Anodyne COc1ccc(/C=C2\CNC/C(=C\c3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC ZINC000039326809 JG Annotated Mild NS(=O)(=O)c1cc(S(=O)(=O)O)c(NCc2ccco2)cc1Oc1cccc(Cl)c1 ZINC000039378680 JG Annotated Anodyne NS(=O)(=O)c1cc(S(=O)(=O)O)c(NCc2ccco2)cc1Oc1ccc(Cl)cc1 ZINC000039378681 JG Annotated Anodyne COc1ccc(-c2csc(-n3[nH]c(C)c([C@@H](c4ccccc4)[C@H](C#N)C(N)=O)c3=O)n2)cc1 ZINC000004019477 JG Annotated Mild COc1ccc(-c2csc(-n3[nH]c(C)c([C@H](c4ccccc4)[C@H](C#N)C(N)=O)c3=O)n2)cc1 ZINC000004019478 JG Annotated Mild CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000004034531 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000004034532 JG Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000004034533 JG Annotated Anodyne CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000004034534 JG Annotated Anodyne O=C(NCc1ccco1)c1ccc2c(=O)n(Cc3ccco3)c(SCC(=O)N3CCCC3)nc2c1 ZINC000004034593 JG Annotated Anodyne CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)ccc21 ZINC000004034911 JG Annotated Anodyne CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc21 ZINC000004034912 JG Annotated Anodyne Cc1ccc(CNC(=O)CCS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)o1 ZINC000004035318 JG Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000004035340 JG Annotated Anodyne CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000004035341 JG Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004036815 JG Annotated Bother Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004036820 JG Annotated Bother CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004039227 JG Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004039229 JG Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004039403 JG Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004039411 JG Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004039420 JG Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004039433 JG Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004040645 JG Annotated Bother C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004040646 JG Annotated Bother C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004040647 JG Annotated Bother C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004040651 JG Annotated Bother CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004040769 JG Annotated Bother CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004040771 JG Annotated Bother CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004040774 JG Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004040858 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004040860 JG Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004041564 JG Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004041567 JG Annotated Bother CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004041572 JG Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004041579 JG Annotated Bother COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004041946 JG Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004041947 JG Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004041948 JG Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004041950 JG Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000004042050 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000004042054 JG Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000004042057 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000004042058 JG Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCCC2=O)c1 ZINC000004044166 JG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCCC2=O)c1 ZINC000004044167 JG Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCCC2=O)c1 ZINC000004044170 JG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCCC2=O)c1 ZINC000004044173 JG Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004044487 JG Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004044491 JG Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004044492 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004044494 JG Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004044512 JG Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004044514 JG Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004044516 JG Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004044517 JG Annotated Bother CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(F)cc2Cl)C1 ZINC000004045449 JG Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(F)cc2Cl)C1 ZINC000004045450 JG Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(F)cc2Cl)C1 ZINC000004045453 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004045470 JG Annotated Bother CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004045471 JG Annotated Bother CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004045472 JG Annotated Bother CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004045473 JG Annotated Bother CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004045474 JG Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004045476 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004045479 JG Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N1CCOCC1 ZINC000004045534 JG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N1CCOCC1 ZINC000004045536 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000004045578 JG Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000004045580 JG Annotated Bother COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000004045620 JG Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000004045623 JG Annotated Anodyne O=C(NCCCN1CCCC1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004048934 JG Annotated Bother O=C(NCCCN1CCCC1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004048935 JG Annotated Bother O=C(NCCCN1CCCC1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004048936 JG Annotated Bother O=C(NCCCN1CCCC1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004048937 JG Annotated Bother CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004049062 JG Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004049063 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004049064 JG Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004049065 JG Annotated Anodyne O=C(NCCN1CCOCC1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049078 JG Annotated Anodyne O=C(NCCN1CCOCC1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049079 JG Annotated Anodyne O=C(NCCN1CCOCC1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049080 JG Annotated Anodyne O=C(NCCN1CCOCC1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049081 JG Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004049122 JG Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004049123 JG Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004049124 JG Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004049125 JG Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004049138 JG Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004049139 JG Annotated Bother CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004049140 JG Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004049141 JG Annotated Bother COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000004049681 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000004049682 JG Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000004049683 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000004049684 JG Annotated Anodyne COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000004049697 JG Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000004049698 JG Annotated Bother COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000004049699 JG Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000004049700 JG Annotated Bother O=C(NCCCN1CCCC1=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004050568 JG Annotated Bother O=C(NCCCN1CCCC1=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004050572 JG Annotated Bother O=C(NCCCN1CCCC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004050582 JG Annotated Bother O=C(NCCCN1CCCC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004050590 JG Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004050841 JG Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004050843 JG Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004050844 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004050846 JG Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004050865 JG Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004050867 JG Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004050869 JG Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004050871 JG Annotated Bother O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004050932 JG Annotated Bother O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004050934 JG Annotated Bother O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004050936 JG Annotated Bother O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004050941 JG Annotated Bother CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)C1 ZINC000004051169 JG Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)C1 ZINC000004051170 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)C1 ZINC000004051171 JG Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)C1 ZINC000004051172 JG Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CCOCC2)cc1OC ZINC000004051362 JG Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CCOCC2)cc1OC ZINC000004051364 JG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000004051778 JG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004051781 JG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004051785 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004051827 JG Annotated Bother CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004051828 JG Annotated Bother CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004051829 JG Annotated Bother CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004051830 JG Annotated Bother O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004053208 JG Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004053211 JG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004053213 JG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004053215 JG Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004053525 JG Annotated Bother O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004053526 JG Annotated Bother O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004053530 JG Annotated Bother COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004053664 JG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004053665 JG Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004053666 JG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004053667 JG Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004053704 JG Annotated Bother O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004053707 JG Annotated Bother O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004053710 JG Annotated Bother O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004053712 JG Annotated Bother C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004054569 JG Annotated Bother C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004054571 JG Annotated Bother C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004054572 JG Annotated Bother C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004054573 JG Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000004054575 JG Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000004054577 JG Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000004054578 JG Annotated Bother CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004054625 JG Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004054628 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004054631 JG Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004054635 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004054664 JG Annotated Bother CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004054665 JG Annotated Bother CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004054666 JG Annotated Bother CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004054667 JG Annotated Bother CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004054706 JG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004054715 JG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004054880 JG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004054881 JG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004054882 JG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004054883 JG Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCO)cc1OC ZINC000004054944 JG Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCO)cc1OC ZINC000004054945 JG Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCO)cc1OC ZINC000004054946 JG Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCO)cc1OC ZINC000004054947 JG Annotated Anodyne O=C(NCCN1CCOCC1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055122 JG Annotated Bother O=C(NCCN1CCOCC1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055123 JG Annotated Bother COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCOCCO ZINC000004055170 JG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCOCCO ZINC000004055171 JG Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004055172 JG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004055173 JG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055194 JG Annotated Bother O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055195 JG Annotated Bother O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055196 JG Annotated Bother O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055197 JG Annotated Bother COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCO ZINC000004055206 JG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCO ZINC000004055207 JG Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCO ZINC000004055208 JG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCO ZINC000004055209 JG Annotated Anodyne COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCC#N)c([N+](=O)[O-])cc1OC ZINC000004055342 JG Annotated Mild COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCC#N)c([N+](=O)[O-])cc1OC ZINC000004055343 JG Annotated Mild COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCC#N)c([N+](=O)[O-])cc1OC ZINC000004055344 JG Annotated Mild COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCC#N)c([N+](=O)[O-])cc1OC ZINC000004055345 JG Annotated Mild COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055378 JG Annotated Bother COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055379 JG Annotated Bother COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055380 JG Annotated Bother COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055381 JG Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055418 JG Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055419 JG Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055420 JG Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055421 JG Annotated Bother COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)c(OC)c1OC ZINC000004056086 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)c(OC)c1OC ZINC000004056087 JG Annotated Anodyne COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000004056094 JG Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000004056095 JG Annotated Bother COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)[C@@H](c1cccnc1)N(C)C2=O ZINC000004056961 JG Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)[C@H](c1cccnc1)N(C)C2=O ZINC000004056962 JG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc3c(c1)OCCO3)[C@@H](c1cccnc1)N(C)C2=O ZINC000004056963 JG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc3c(c1)OCCO3)[C@H](c1cccnc1)N(C)C2=O ZINC000004056964 JG Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004075564 JG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004075565 JG Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004075566 JG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004075567 JG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004075583 JG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004075584 JG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004075585 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077247 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077258 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077266 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077274 JG Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004077320 JG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004077328 JG Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004077337 JG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004077348 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077382 JG Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077390 JG Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077393 JG Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077402 JG Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077408 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077419 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077432 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077438 JG Annotated Anodyne Cc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000004077554 JG Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004077713 JG Annotated Bother CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004077719 JG Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000004077728 JG Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000004077731 JG Annotated Bother COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCC(C(N)=O)CC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000004078681 JG Annotated Anodyne COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCC(C(N)=O)CC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004078687 JG Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)N3CCC(C(N)=O)CC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000004078688 JG Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)N3CCC(C(N)=O)CC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004078689 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004080635 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004080636 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004080638 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004080640 JG Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004080754 JG Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004080756 JG Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004080757 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004080759 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004080866 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004080867 JG Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000004080870 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000004080871 JG Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000004080872 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000004080873 JG Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004080903 JG Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004080904 JG Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004080906 JG Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004080908 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004080962 JG Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004080963 JG Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004080966 JG Annotated Anodyne CC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccccc3F)CC1)C(=O)C(C)(C)O2 ZINC000004092993 JG Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1 ZINC000004097825 JG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(O)C(=O)[C@@H](OC(=O)/C(C)=C\C)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 ZINC000004098282 JG Annotated Anodyne in-vitro O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CC=C(c2ccccc2)CC1 ZINC000004102102 JG Annotated Anodyne aggregator CCOC(=O)N1CCC(n2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)CC1 ZINC000004104165 JG Annotated Anodyne CC[C@@](C)(C(=O)NC1CCCC1)N(C(=O)c1cnccn1)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000004104197 JG Annotated Anodyne CC[C@](C)(C(=O)NC1CCCC1)N(C(=O)c1cnccn1)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000004104198 JG Annotated Anodyne CSc1cccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C(C)C)[C@H](C(=O)NC4CCCCC4)[C@]34C=C[C@H]2O4)c1 ZINC000004127985 JG Annotated Anodyne CSc1cccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C(C)C)[C@@H](C(=O)NC4CCCCC4)[C@]34C=C[C@H]2O4)c1 ZINC000004127986 JG Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1C ZINC000004128039 JG Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1C ZINC000004128040 JG Annotated Anodyne Cc1cc(C)cc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)c1 ZINC000004128061 JG Annotated Anodyne Cc1cc(C)cc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)c1 ZINC000004128062 JG Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C(C)C)C(=O)[C@H]24)cc1 ZINC000004128063 JG Annotated Anodyne CCOc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C(C)C)C(=O)[C@H]24)cc1 ZINC000004128064 JG Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000004128931 JG Annotated Mild CCN(C(=O)Cn1c(=O)n2nc(CCn3nc(C)cc3C)nc2c2ccccc21)c1cccc(C)c1 ZINC000004143371 JG Annotated Anodyne COc1ccc(N(CC(=O)Nc2cc(C(=O)O)ccc2C)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000004143624 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151883 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151884 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151885 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151886 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NC[C@@H](O)CC ZINC000004151936 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NC[C@H](O)CC ZINC000004151937 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000004151938 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004151939 JG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004152005 JG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004152006 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCN(CC)CC ZINC000004152066 JG Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152067 JG Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCN(CC)CC ZINC000004152070 JG Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152071 JG Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCOCCO ZINC000004152101 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCOCCO ZINC000004152102 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCOCCO ZINC000004152103 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCOCCO ZINC000004152104 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCO ZINC000004152157 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCO ZINC000004152158 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCO ZINC000004152159 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCO ZINC000004152160 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCO ZINC000004152186 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCO ZINC000004152187 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCO ZINC000004152188 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCO ZINC000004152189 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004152447 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004152450 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCOCCO ZINC000004152534 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCOCCO ZINC000004152535 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCOCCO ZINC000004152536 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCOCCO ZINC000004152538 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCOCCO ZINC000004152562 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCOCCO ZINC000004152565 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCOCCO ZINC000004152567 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCOCCO ZINC000004152568 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCO ZINC000004152575 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCO ZINC000004152576 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCO ZINC000004152578 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCO ZINC000004152580 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCC#N ZINC000004152810 JG Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCC#N ZINC000004152811 JG Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCC#N ZINC000004152812 JG Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCC#N ZINC000004152813 JG Annotated Mild CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCC#N ZINC000004152835 JG Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCC#N ZINC000004152837 JG Annotated Mild CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCC#N ZINC000004152839 JG Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCC#N ZINC000004152840 JG Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCCOC ZINC000004152878 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCCOC ZINC000004152880 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCCOC ZINC000004152882 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCCOC ZINC000004152884 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCOC ZINC000004152909 JG Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCOC ZINC000004152911 JG Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCOC ZINC000004152913 JG Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCOC ZINC000004152915 JG Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152976 JG Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152978 JG Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152982 JG Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004153595 JG Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004153596 JG Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004153597 JG Annotated Bother CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000004153706 JG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000004153707 JG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000004153708 JG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000004153709 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N1CCOCC1 ZINC000004153768 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N1CCOCC1 ZINC000004153769 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N1CCOCC1 ZINC000004153770 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N1CCOCC1 ZINC000004153771 JG Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000004153981 JG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000004153982 JG Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000004153983 JG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000004153984 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004154503 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004154504 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004154505 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004154506 JG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004154528 JG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004154532 JG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004154542 JG Annotated Anodyne CCc1ccc(-n2c(N3CCC(C(N)=O)(N4CCCCC4)CC3)nc3ccccc3c2=O)cc1 ZINC000004176316 JG Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCC(C(N)=O)CC1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000004176518 JG Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCC(C(N)=O)CC1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000004176519 JG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCC(C(N)=O)CC1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000004176520 JG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCC(C(N)=O)CC1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000004176521 JG Annotated Anodyne CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000004176738 JG Annotated Anodyne CCOC(=O)c1nc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c2c3c(sc2n1)CCCC3 ZINC000004177279 JG Annotated Anodyne CCOC(=O)c1[nH]c(CSc2nnc(-c3ccncc3)n2CCOC)c(C(=O)OCC)c1C ZINC000004195279 JG Annotated Anodyne COc1c(S(=O)(=O)N2CCCCC2)ccc2c(S(=O)(=O)N3CCCCC3)cccc12 ZINC000004196680 JG Annotated Anodyne Cc1c(C(=O)NCCCN2CCCCCC2)sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 ZINC000004201258 JG Annotated Anodyne Cc1c(C(=O)NCCCN2CCCCCC2)sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 ZINC000004201260 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004202148 JG Annotated Clean CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004202149 JG Annotated Clean CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004202150 JG Annotated Clean CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004202151 JG Annotated Clean CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004204604 JG Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004204607 JG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004204609 JG Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004205277 JG Annotated Bother C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004205279 JG Annotated Bother C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004205281 JG Annotated Bother C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004205284 JG Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000004205287 JG Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000004205290 JG Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000004205291 JG Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000004205293 JG Annotated Bother CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004205368 JG Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004205372 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004205375 JG Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004205378 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004205417 JG Annotated Bother CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004205421 JG Annotated Bother CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004205424 JG Annotated Bother O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004205727 JG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004205729 JG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004205732 JG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004205735 JG Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCO)cc1OC ZINC000004205910 JG Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCO)cc1OC ZINC000004205913 JG Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCO)cc1OC ZINC000004205915 JG Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCO)cc1OC ZINC000004205919 JG Annotated Anodyne O=C(NCCN1CCOCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206464 JG Annotated Bother O=C(NCCN1CCOCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206467 JG Annotated Bother COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCOCCO ZINC000004206581 JG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCOCCO ZINC000004206584 JG Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCOCCO ZINC000004206586 JG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCOCCO ZINC000004206589 JG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206647 JG Annotated Bother O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206649 JG Annotated Bother O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206652 JG Annotated Bother O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206655 JG Annotated Bother COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCO ZINC000004206673 JG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCO ZINC000004206675 JG Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCO ZINC000004206676 JG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCO ZINC000004206679 JG Annotated Anodyne COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCC#N)c([N+](=O)[O-])cc1OC ZINC000004207000 JG Annotated Mild COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCC#N)c([N+](=O)[O-])cc1OC ZINC000004207002 JG Annotated Mild COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCC#N)c([N+](=O)[O-])cc1OC ZINC000004207005 JG Annotated Mild COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCC#N)c([N+](=O)[O-])cc1OC ZINC000004207006 JG Annotated Mild COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004207083 JG Annotated Bother COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004207085 JG Annotated Bother COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004207089 JG Annotated Bother COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004207092 JG Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004207172 JG Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004207175 JG Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004207177 JG Annotated Bother COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)c(OC)c1OC ZINC000004208263 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)c(OC)c1OC ZINC000004208264 JG Annotated Anodyne COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000004208271 JG Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000004208272 JG Annotated Bother CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004208554 JG Annotated Bother CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004208555 JG Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000004208556 JG Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000004208557 JG Annotated Bother CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004212442 JG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004212445 JG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004212447 JG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004212451 JG Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004212502 JG Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004212507 JG Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCN1CCOCC1 ZINC000004212511 JG Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCN1CCOCC1 ZINC000004212516 JG Annotated Bother COC1=C(C(=O)OCCN(C)C)[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2[C@H](C)O1 ZINC000004212986 JG Annotated Anodyne in-man O=C(C[C@@H]1[C@H]2C=CC=C[C@@H]2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCC2(CC1)OCCO2 ZINC000004214098 JG Annotated Anodyne in-man CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCN1CCCC1=O ZINC000004214335 JG Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCN1CCCC1=O ZINC000004214339 JG Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCN1CCCC1=O ZINC000004214342 JG Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCN1CCCC1=O ZINC000004214345 JG Annotated Bother CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215427 JG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215430 JG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215432 JG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215434 JG Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215455 JG Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215457 JG Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215458 JG Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215460 JG Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215461 JG Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215463 JG Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215465 JG Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215467 JG Annotated Bother O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc2n1Cc1ccc(F)cc1 ZINC000004238410 JG Annotated Anodyne COc1ccc(-n2c(=O)c(-c3cn(C)c4ccccc34)nc3cnc(N4CCOCC4)nc32)cc1 ZINC000004238861 JG Annotated Anodyne CN1CCN(c2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(Cc4cccs4)c3n2)CC1 ZINC000004238927 JG Annotated Anodyne COc1cccc(Cn2c(=O)c(-c3cn(C)c4ccccc34)nc3cnc(N4CCOCC4)nc32)c1 ZINC000004239059 JG Annotated Anodyne COc1cccc(Cn2c(=O)c(-c3cc(F)cc(F)c3)nc3cnc(N4CCOCC4)nc32)c1 ZINC000004239077 JG Annotated Anodyne CN1CCN(c2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(CCc4ccccc4)c3n2)CC1 ZINC000004239101 JG Annotated Anodyne O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCOCC3)nc2n1Cc1ccc(F)cc1 ZINC000004239123 JG Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274905 JG Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274906 JG Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274907 JG Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274908 JG Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274909 JG Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274910 JG Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274911 JG Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274912 JG Annotated Bother COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 ZINC000004296370 JG Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 ZINC000004296373 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 ZINC000004296375 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c(OC)c1 ZINC000004296531 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c(OC)c1 ZINC000004296532 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c(OC)c1 ZINC000004296533 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c(OC)c1 ZINC000004296534 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004296644 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004296645 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004296683 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004296684 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004296685 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004296686 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004296759 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004296760 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCOCCO ZINC000004296824 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCOCCO ZINC000004296825 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCOCCO ZINC000004296826 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCOCCO ZINC000004296827 JG Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 ZINC000004296916 JG Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 ZINC000004296917 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 ZINC000004296918 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c(OC)c1 ZINC000004310321 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c(OC)c1 ZINC000004310322 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c(OC)c1 ZINC000004310323 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c(OC)c1 ZINC000004310324 JG Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000004337255 JG Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000004337256 JG Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000004337260 JG Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000004337263 JG Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004354725 JG Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004354737 JG Annotated Anodyne Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(CC(=O)NC2CCCC2)c2cccc(C)c2C)cc1 ZINC000004354774 JG Annotated Anodyne Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(CC(=O)NC2CCCC2)c2cccc(C)c2C)cc1 ZINC000004354780 JG Annotated Anodyne COc1ccc(CCN(Cc2cccs2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1OC ZINC000004355189 JG Annotated Anodyne CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc(NC(C)=O)c(OC)c3)o2)cc1 ZINC000004375718 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004381851 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004381855 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004381857 JG Annotated Anodyne COC(=O)/C=C1/C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(COC(C)=O)CS[C@H]12 ZINC000004383761 JG Annotated Anodyne Cn1cnnc1SCC(=O)N(Cc1ccc2c(c1)OCO2)C1(C(=O)NC2CCCCC2)CCCC1 ZINC000004388385 JG Annotated Anodyne CCOC(=O)CN(C(=O)CSc1n[nH]c2c3cc(OC)ccc3nc-2n1)c1ccc(F)cc1 ZINC000004411086 JG Annotated Anodyne CC(C)(C)NC(=O)CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(F)c(Cl)c1 ZINC000004411657 JG Annotated Anodyne CC(C)(C)NC(=O)CN(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(F)c(Cl)c1 ZINC000004411658 JG Annotated Anodyne CCOC(=O)C[C@H]1COc2ccc(NC(=O)c3ccc(C(=N)N4CCOCC4)cc3)cc2C1 ZINC000004423512 JG Annotated Anodyne CCN(CC)CCNC(=O)c1cccc2c(=O)c3c(I)cccc3[nH]c12 ZINC000040379428 JG Annotated Bother CCOC(=O)c1cc2c(CN3CCCC3)c(O)c(OC)cc2nc1C[S@@](=O)c1ccccn1 ZINC000040379528 JG Annotated Clean CCOC(=O)c1cc2c(CN3CCCC3)c(O)c(OC)cc2nc1C[S@](=O)c1ccccn1 ZINC000040379529 JG Annotated Clean CC1=C(C)[C@]2(OC1=O)[C@H](O)[C@@H](C)[C@]1(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@]2(O)[C@@]31C ZINC000040380012 JG Annotated Mild C#CCOCCOc1ccc(OC)cc1CCNC(=S)Nc1ccc(Br)cn1 ZINC000040380632 JG Annotated Mild C[C@@H]1CN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CCN1c1ccc(C(F)(F)F)cn1 ZINC000040392513 JG Annotated Anodyne C[C@H]1CN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CCN1c1ccc(C(F)(F)F)cn1 ZINC000040392990 JG Annotated Anodyne CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1 ZINC000040393465 JG Annotated Anodyne CCO[C@@H](C1=C[C@H]2C(c3ccc(OC)cc3)=NN(c3ccccc3)[C@@H]2N=C1)[C@H](OC)[C@@H](O)COC ZINC000040394421 JG Annotated Anodyne CCO[C@@H](C1=C[C@@H]2C(c3ccc(OC)cc3)=NN(c3ccccc3)[C@@H]2N=C1)[C@H](OC)[C@@H](O)COC ZINC000040394422 JG Annotated Anodyne CCO[C@@H](C1=C[C@H]2C(c3ccc(OC)cc3)=NN(c3ccccc3)[C@H]2N=C1)[C@H](OC)[C@@H](O)COC ZINC000040394423 JG Annotated Anodyne CCO[C@@H](C1=C[C@@H]2C(c3ccc(OC)cc3)=NN(c3ccccc3)[C@H]2N=C1)[C@H](OC)[C@@H](O)COC ZINC000040394424 JG Annotated Anodyne C=C1c2ccoc2C[C@H]2[C@H]1CC[C@@]1(O)C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]21C ZINC000040394437 JG Annotated Mild COCCNc1nc(C(F)(F)F)ccc1-c1cc(Oc2cccc3[nH]c(=O)c(N)nc23)ncn1 ZINC000040395173 JG Annotated Anodyne CN1CCN(CC(=O)N[C@@H]2CC3(N(C)C)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040395361 JG Annotated Anodyne CN1CCN(CC(=O)N[C@H]2CC3(N(C)C)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040395362 JG Annotated Anodyne CN1CCN(CC(=O)N[C@@H]2CC3(N(C)C)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040395363 JG Annotated Anodyne O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCC4(CC3)OCCO4)c([N+](=O)[O-])cc2c1=O ZINC000040401777 JG Annotated Bother COc1cccc(OCC#Cc2cn([C@H](C)C[C@@H]3CC[C@H]([C@@H](C)C(=O)N4CCCC4)O3)nn2)c1OC ZINC000040410231 JG Annotated Mild CC(C)[C@H](NS(=O)(=O)c1ccccc1Br)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040410499 JG Annotated Mild CC(C)[C@@H](NS(=O)(=O)c1ccccc1Br)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040410502 JG Annotated Mild C[C@@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccccc3[N+](=O)[O-])nn2)O1 ZINC000040410835 JG Annotated Mild CC(=O)c1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1 ZINC000040411659 JG Annotated Anodyne N=C1S/C(=C\c2c[nH]nc2-c2ccc(C(=O)N3CCOCC3)cc2)C(=O)N1c1nccs1 ZINC000040413674 JG Annotated Anodyne CC(C)NC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCN3CCN(c4ccccc4)CC3)nn2)O1 ZINC000040414225 JG Annotated Mild CCCNC(=O)NCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N(C)Cc3ccccc3)O2)nn1 ZINC000040420537 JG Annotated Mild COc1cc(N[C@@H](C)CCCN2C(=O)CN(C(=O)[C@@H](N)CCSC)C2(C)C)c2ncccc2c1 ZINC000040421494 JG Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)CN(C(=O)[C@@H](N)CCSC)C2(C)C)c2ncccc2c1 ZINC000040421496 JG Annotated Anodyne COc1ccc(CC(=O)N[C@@H](N/C(=N/C#N)Nc2cccnc2Cl)C(C)(C)C)cc1OC ZINC000040421648 JG Annotated Mild COc1ccc(CC(=O)N[C@H](N/C(=N/C#N)Nc2cccnc2Cl)C(C)(C)C)cc1OC ZINC000040421650 JG Annotated Mild O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(Cc3ccc(Cl)o3)CC2)c(F)c1 ZINC000040422605 JG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C/CCCNC(=O)CCc3cccnc3)c(F)c2)C(=O)O1 ZINC000040422941 JG Annotated Anodyne CN(Cc1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O)C1CCCCC1 ZINC000040422942 JG Annotated Mild CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(/C=C/C#N)s1)n2CCC(N)=O ZINC000040423077 JG Annotated Reactive COc1cc(OC)c2c(=O)c3cc(N(C)C)c(N4CCN(c5ccccn5)CC4)cc3n(C)c2c1 ZINC000040423319 JG Annotated Bother N#C[C@@H](c1nc2ccccc2s1)[C@H](c1ccccc1[N+](=O)[O-])C(P(=O)(O)O)P(=O)(O)O ZINC000040424632 JG Annotated Mild N#C[C@@H](c1nc2ccccc2s1)[C@@H](c1ccccc1[N+](=O)[O-])C(P(=O)(O)O)P(=O)(O)O ZINC000040424634 JG Annotated Mild N#C[C@H](c1nc2ccccc2s1)[C@H](c1ccccc1[N+](=O)[O-])C(P(=O)(O)O)P(=O)(O)O ZINC000040424636 JG Annotated Mild N#C[C@H](c1nc2ccccc2s1)[C@@H](c1ccccc1[N+](=O)[O-])C(P(=O)(O)O)P(=O)(O)O ZINC000040424638 JG Annotated Mild CCCCCC[C@H](O)/C=C/C(=O)O[C@H]1[C@H](C)O[C@]2(C)[C@@H](OC(C)=O)[C@@H](C)C(=O)O[C@H]2[C@@H]1C ZINC000040428719 JG Annotated Anodyne CC(=O)c1ccc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3OCC3CC3)CC2)c(F)c1 ZINC000040429796 JG Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@H](O[C@@H](CC(C)=O)[C@@H]31)[C@](C)(CCC(=O)O)OC(=O)[C@@H]2C ZINC000040430152 JG Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@@H](O[C@@H](CC(C)=O)[C@@H]31)[C@](C)(CCC(=O)O)OC(=O)[C@@H]2C ZINC000040430154 JG Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@@H](O[C@@H](CC(C)=O)[C@@H]31)[C@](C)(CCC(=O)O)OC(=O)[C@@H]2C ZINC000040430156 JG Annotated Anodyne COc1cccc(CNS(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)c1 ZINC000040450673 JG Annotated Anodyne COc1cccc(CNS(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)c1 ZINC000040450674 JG Annotated Anodyne C=CCc1ccc(OCC(=O)NCC(C)(C)CNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1 ZINC000040466870 JG Annotated Mild C[C@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(Cc5ccc(N)cc5)CC4)cc3n21 ZINC000040498418 JG Annotated Clean C[C@@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(Cc5ccc(N)cc5)CC4)cc3n21 ZINC000040498419 JG Annotated Clean CN(C)S(=O)(=O)c1cc(S(=O)(=O)O)c(NCc2ccco2)cc1Oc1ccccc1 ZINC000040504879 JG Annotated Anodyne O=C(O)c1ccc(OCC#CCn2c(=O)on(CC(c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000040564909 JG Annotated Mild C[C@@H]1[C@H](N(C)C(=O)N(C)c2ccc(I)cc2)C(=O)N(c2ccccc2)N1C ZINC000040565625 JG Annotated Anodyne C[C@H]1[C@H](N(C)C(=O)N(C)c2ccc(I)cc2)C(=O)N(c2ccccc2)N1C ZINC000040565627 JG Annotated Anodyne C[C@@H]1[C@@H](N(C)C(=O)N(C)c2ccc(I)cc2)C(=O)N(c2ccccc2)N1C ZINC000040565629 JG Annotated Anodyne C[C@H]1[C@@H](N(C)C(=O)N(C)c2ccc(I)cc2)C(=O)N(c2ccccc2)N1C ZINC000040565631 JG Annotated Anodyne CCC(=O)NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCO3)cc1CO ZINC000040566979 JG Annotated Anodyne C=C(C)C(=O)OCCN1C(=O)c2ccccc2[C@]1(N[C@@H](CO)[C@@H](O)c1ccccc1)c1ccccc1 ZINC000040567620 JG Annotated Mild C=C(C)C(=O)OCCN1C(=O)c2ccccc2[C@@]1(N[C@@H](CO)[C@@H](O)c1ccccc1)c1ccccc1 ZINC000040567622 JG Annotated Mild CN1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@H]1c1ccccc1 ZINC000040602123 JG Annotated Bother O=C(c1ccc(Br)nc1NS(=O)(=O)c1cccc2nccnc12)N1CCCCC1 ZINC000040617181 JG Annotated Anodyne NS(=O)(=O)c1cc(S(=O)(=O)O)c(NCc2ccco2)cc1Nc1ccc(Cl)cc1 ZINC000040631426 JG Annotated Anodyne Cc1ccc(Oc2cc(NCc3ccco3)c(S(=O)(=O)O)cc2S(N)(=O)=O)cc1C ZINC000040631459 JG Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@H]2OC(C)=O)cc1NC=O ZINC000040631539 JG Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@@H]2OC(C)=O)cc1NC=O ZINC000040631541 JG Annotated Mild CN(c1ccccc1)c1cc(NCc2ccco2)c(S(=O)(=O)O)cc1S(=O)(=O)N(C)C ZINC000040632377 JG Annotated Anodyne CN(c1ccc(Cl)cc1)c1cc(NCc2ccco2)c(S(=O)(=O)O)cc1S(N)(=O)=O ZINC000040640234 JG Annotated Anodyne O=C(CCCC[C@@H]1CCSS1)NC[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@H](O)[C@H](O)[C@@H]1O ZINC000040720039 JG Annotated Reactive ClC1=C[C@@H]2NC=C/C(=N\CCCN3CCN(CCCN(CC4CC4)N4CCCC4)CC3)[C@H]2C=C1 ZINC000040741671 JG Annotated Mild ClC1=C[C@H]2NC=C/C(=N\CCCN3CCN(CCCN(CC4CC4)N4CCCC4)CC3)[C@H]2C=C1 ZINC000040741672 JG Annotated Mild COc1c(N2C[C@@H]3CCCN(C)[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 ZINC000040743381 JG Annotated Anodyne COc1c(N2C[C@H]3CCCN(C)[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 ZINC000040743383 JG Annotated Anodyne NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(Br)cc2)cc1CO ZINC000040763303 JG Annotated Anodyne CC[C@H]1OCC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(I)c1 ZINC000040766819 JG Annotated Mild COc1ccc([C@@H]2CC(=O)[C@H](C)[C@H](c3ccc(OC)cc3)N2C(=O)CN2CCOCC2)cc1 ZINC000040776355 JG Annotated Anodyne COc1ccc([C@@H]2CC(=O)[C@@H](C)[C@H](c3ccc(OC)cc3)N2C(=O)CN2CCOCC2)cc1 ZINC000040776358 JG Annotated Anodyne C[C@@H]1COc2c(N3CCN(C)[C@H](c4ccccc4)C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 ZINC000040791295 JG Annotated Bother C[C@H]1COc2c(N3CCN(C)[C@H](c4ccccc4)C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 ZINC000040791296 JG Annotated Bother CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCC/C(=C\c2ccc(S(C)(=O)=O)cc2)C3=O)C(=O)O1 ZINC000040810621 JG Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@H](C)[C@](C)([C@@H](O)CC2=CC(=O)OC2)[C@H]2CCC[C@]3(CO3)[C@]12COC(C)=O ZINC000040845588 JG Annotated Anodyne COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(C4(CN5CCOCC5)CC4)cc2)CC3)cc1 ZINC000040846574 JG Annotated Mild C/C(=C\[C@@H](C)[C@H](O)C/C=C/CC/C=C/C(=O)O)[C@@H](O)[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000040846773 JG Annotated Anodyne C/C(=C\[C@@H](C)CC/C=C/CC/C=C/C(=O)O)[C@H](O)[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000040846775 JG Annotated Anodyne CCN(CC)CCNC(=O)c1ccc(I)c2c(=O)c3ccccc3[nH]c12 ZINC000040847830 JG Annotated Bother CC(=O)Cc1cc(O)cc2c1C(=O)C[C@@](C)(Cc1cc(=O)c3c(CC(C)=O)cc(O)cc3o1)O2 ZINC000040848428 JG Annotated Anodyne CC(=O)Cc1cc(O)cc2c1C(=O)C[C@](C)(Cc1cc(=O)c3c(CC(C)=O)cc(O)cc3o1)O2 ZINC000040848430 JG Annotated Anodyne Cc1nnc2n1-c1ccc(NC(=O)CN3CCN(Cc4ccccc4Br)CC3)cc1CC2 ZINC000040848466 JG Annotated Anodyne CCCCCC[C@H](O)/C=C/C(=O)O[C@H]1[C@H](C)O[C@]2(C)[C@@H](OC(C)=O)[C@H](C)C(=O)O[C@H]2[C@@H]1C ZINC000040848781 JG Annotated Anodyne C/C(=C\[C@@H](C)[C@H](O)C/C=C/CC/C=C/C(=O)O)[C@H](O)[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000040860010 JG Annotated Anodyne C/C(=C\[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1)[C@H](O)[C@@H](C)[C@H](O)C/C=C/CC/C=C/C(=O)O ZINC000040860313 JG Annotated Anodyne N#C/C=C(\Nc1cccc2c(Cl)c[nH]c12)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O ZINC000040861030 JG Annotated Reactive Cc1cc2c(cc1S(=O)(=O)Oc1cccc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c1)OCO2 ZINC000040861385 JG Annotated Reactive O=c1[nH][nH]c(=O)c2c(Br)c(Br)c(Br)c(Br)c12 ZINC000040862110 JG Annotated Anodyne CN1Cc2c(c(O)c3ncc(Cc4ccc(F)c(Cl)c4)cc3c2N(C)S(C)(=O)=O)C1=O ZINC000040863357 JG Annotated Anodyne O=C(c1ccc(Br)s1)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)s2)CC1 ZINC000040864671 JG Annotated Bother C[S@@](=O)c1ccc(Cc2cc(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc(N)n2)cc1 ZINC000040865708 JG Annotated Anodyne C[S@](=O)c1ccc(Cc2cc(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc(N)n2)cc1 ZINC000040865710 JG Annotated Anodyne Cc1cc2c(cc1S(=O)(=O)Oc1cccc(C(=O)N/N=C\c3ccc(C#N)cc3)c1)OCO2 ZINC000040865786 JG Annotated Reactive CCOC(=O)N1CCN(c2c(C(=O)N(CC)CC)c3nnc(C(C)C)n3c3ncccc23)CC1 ZINC000040866097 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1 ZINC000040874566 JG Annotated Mild CCOC(=O)c1c(NCCN2CCOCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000040875141 JG Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C1 ZINC000040876033 JG Annotated Bother CCN(CC)C(=O)[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C1 ZINC000040876036 JG Annotated Bother COc1ccc(C(=O)Nc2cc(C(=O)NCCN(C)C)cc(-c3nc4ncccc4o3)c2)cc1OC ZINC000040892031 JG Annotated Anodyne C[C@H](N)C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2-c2nnc(Cc3ccccc3)o2)c1 ZINC000040892746 JG Annotated Anodyne CN(C)CCNC(=O)c1cc(NC(=O)c2cccc(N(C)C)c2)cc(-c2nc3ncccc3o2)c1 ZINC000040892879 JG Annotated Anodyne NC(=O)[C@@]1(Cc2ccc(OCc3cc(N4CCCC4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO ZINC000040893892 JG Annotated Bother Cc1cccc2sc(C3(NC(=O)C[C@H](N)Cc4ccccc4F)CCS(=O)(=O)CC3)nc12 ZINC000040894008 JG Annotated Anodyne c1cc(CN2CCCC2)cc(-c2nnnn2[C@H]2CO[C@@H]3C[C@@H](NCC4CCCCC4)O[C@H]23)c1 ZINC000040894300 JG Annotated Anodyne COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(C4(CS(C)(=O)=O)CC4)cc2)CC3)cc1 ZINC000040894352 JG Annotated Mild CC(C)NC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCN(C)CCc3ccccc3)nn2)O1 ZINC000040894720 JG Annotated Mild Cc1ccc2nc(C3(NC(=O)C[C@H](N)Cc4ccccc4F)CCS(=O)(=O)CC3)sc2c1 ZINC000040896187 JG Annotated Anodyne CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)c(Cl)c1F)C2)S(C)(=O)=O ZINC000040896293 JG Annotated Anodyne CNC(=O)/C=C(\c1ccc(C)cc1)c1ccc2nc(NCC(=O)NC)c(-c3ccc(F)cc3)n2n1 ZINC000040897455 JG Annotated Anodyne COCCN(CCOC)c1nc(C)nc2c(-c3cc(OC)c(OC)cc3Br)c(C)nn12 ZINC000040899875 JG Annotated Anodyne COC(=O)C(=C(/C)c1cc(OC)cc(OC)c1)/C(=C\c1ccccc1)C(=O)NN1CC[N+](C)([O-])CC1 ZINC000040914364 JG Annotated Bother CN(Cc1ccccc1)C(=S)N/N=C/c1ccc(/C=C/c2ncc([N+](=O)[O-])n2CCO)cc1 ZINC000040914723 JG Annotated Mild CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@@H]4O[C@H](C[C@@](C)(O)[C@H](OC)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000040917812 JG Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@@H]4O[C@H](C[C@@](C)(O)[C@H](OC)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000040917813 JG Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@@H]4O[C@@H](C[C@@](C)(O)[C@H](OC)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000040917814 JG Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@@H]4O[C@@H](C[C@@](C)(O)[C@H](OC)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000040917815 JG Annotated Anodyne Cc1noc(C)c1COC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OCc1ccccc1 ZINC000040918005 JG Annotated Bother Cc1noc(C)c1COC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OCc1ccccc1 ZINC000040918006 JG Annotated Bother COc1ccc([C@@H]2[C@H](C)C(=O)[C@H](C)[C@H](c3ccc(OC)cc3)N2C(=O)CN2CCN(C)CC2)cc1 ZINC000040918228 JG Annotated Anodyne COc1ccc([C@@H]2[C@H](C)C(=O)[C@@H](C)[C@H](c3ccc(OC)cc3)N2C(=O)CN2CCN(C)CC2)cc1 ZINC000040918229 JG Annotated Anodyne COc1ccc([C@@H]2[C@H](C)C(=O)[C@H](C)[C@@H](c3ccc(OC)cc3)N2C(=O)CN2CCN(C)CC2)cc1 ZINC000040918230 JG Annotated Anodyne COc1ccc([C@@H]2[C@H](C)C(=O)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2C(=O)CN2CCN(C)CC2)cc1 ZINC000040918231 JG Annotated Anodyne CC(=O)O[C@H]1CC=C(C=O)[C@H]2C=C3CC(=O)C(C)=C3[C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@]12C ZINC000040918251 JG Annotated Reactive COc1ccc(OCC#Cc2cn([C@H](C)C[C@@H]3CC[C@H]([C@@H](C)C(=O)N4CCCC4)O3)nn2)cc1 ZINC000040919191 JG Annotated Mild CC(C)[C@H](NS(=O)(=O)c1cccc(Br)c1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040919195 JG Annotated Mild CC(C)[C@@H](NS(=O)(=O)c1cccc(Br)c1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040919196 JG Annotated Mild CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040933150 JG Annotated Mild CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040933152 JG Annotated Mild Cc1cccc(NC(=O)NCC#Cc2cn([C@H](C)C[C@@H]3CC[C@H]([C@@H](C)C(=O)NC(C)C)O3)nn2)c1 ZINC000040933334 JG Annotated Mild CCC(=O)OCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N(C)Cc3ccccc3)O2)nn1 ZINC000040933355 JG Annotated Mild CCOC(=O)c1c2c(n(-c3ccc(I)cc3)c1N)C(=O)c1ncccc1C2=O ZINC000040933784 JG Annotated Clean COc1cccc(OCC#Cc2cn([C@H](C)C[C@@H]3CC[C@H]([C@@H](C)C(=O)NC(C)C)O3)nn2)c1OC ZINC000040934298 JG Annotated Mild O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1O[C@H](CNCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O ZINC000040934377 JG Annotated Anodyne CC(C)CC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)O2)nn1 ZINC000040934394 JG Annotated Mild CC(C)CC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N3CCN(C[C@H]4CCCO4)CC3)O2)nn1 ZINC000040934396 JG Annotated Mild COc1cc(OC)c2c(=O)cc(-c3ccc(OCCCN)c(NC(=O)CCCN(C)C)c3)n(C)c2c1 ZINC000040935140 JG Annotated Anodyne COc1ccc(OCC#Cc2cn([C@H](C)C[C@@H]3CC[C@H]([C@@H](C)C(=O)NC(C)C)O3)nn2)cc1 ZINC000040936371 JG Annotated Mild C=C[C@@](C)(CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000040939171 JG Annotated Mild CCN(CC#N)CCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4 ZINC000040939330 JG Annotated Mild O=C(NCc1ccccc1)Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12 ZINC000040943223 JG Annotated Bother C#CCN(CC)CCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4 ZINC000040943618 JG Annotated Mild COc1ccccc1N/C(=N\C#N)N[C@H](NC(=O)Cc1ccc(OC)c(OC)c1)C(C)(C)C ZINC000040949388 JG Annotated Mild COc1ccccc1N/C(=N\C#N)N[C@@H](NC(=O)Cc1ccc(OC)c(OC)c1)C(C)(C)C ZINC000040949390 JG Annotated Mild CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N[C@@H](C)C(=O)N1 ZINC000040949828 JG Annotated Anodyne C[C@@H]1CN(CC2(c3cccnc3)CC2)CCN1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1 ZINC000040949903 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H](n1oc3ccc(Cl)cc3c1=O)[C@H](O)C(C)(C)O2 ZINC000040950152 JG Annotated Anodyne COc1ccc(S(=O)(=O)Nc2ccc(N)c(-c3c(OC)ccc4c3OCO4)c2)cc1OC ZINC000040951199 JG Annotated Anodyne COc1c(S(=O)(=O)N2CCC(Oc3ccccc3Cl)CC2)ccc2c1CCNCC2 ZINC000040951687 JG Annotated Anodyne Cn1c2cc(N3CCN(c4nc5ccccc5o4)CC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000040952054 JG Annotated Bother O=P(O)(O)C(O)(CCn1c2c(c3ccccc31)CCSc1ccccc1-2)P(=O)(O)O ZINC000040952318 JG Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(Br)ccc(F)c12 ZINC000040952616 JG Annotated Anodyne CN(C)c1ccc([C@H](C(P(=O)(O)O)P(=O)(O)O)[C@@H](C#N)c2nc3ccccc3s2)cc1 ZINC000040952798 JG Annotated Mild CN(C)c1ccc([C@@H](C(P(=O)(O)O)P(=O)(O)O)[C@@H](C#N)c2nc3ccccc3s2)cc1 ZINC000040952800 JG Annotated Mild CN(C)c1ccc([C@H](C(P(=O)(O)O)P(=O)(O)O)[C@H](C#N)c2nc3ccccc3s2)cc1 ZINC000040952802 JG Annotated Mild CN(C)c1ccc([C@@H](C(P(=O)(O)O)P(=O)(O)O)[C@H](C#N)c2nc3ccccc3s2)cc1 ZINC000040952804 JG Annotated Mild CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 ZINC000040953337 JG Annotated Anodyne CCCCNc1c(C(=O)N(CC)CC)c2nnc(CC(=O)NCC(C)C)n2c2ncccc12 ZINC000040954949 JG Annotated Anodyne N#C[C@H](c1nc2ccccc2s1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)(O)O)P(=O)(O)O ZINC000040955765 JG Annotated Mild N#C[C@@H](c1nc2ccccc2s1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)(O)O)P(=O)(O)O ZINC000040955768 JG Annotated Mild N#C[C@H](c1nc2ccccc2s1)[C@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)(O)O)P(=O)(O)O ZINC000040955771 JG Annotated Mild N#C[C@@H](c1nc2ccccc2s1)[C@H](c1ccc([N+](=O)[O-])cc1)C(P(=O)(O)O)P(=O)(O)O ZINC000040955774 JG Annotated Mild COC(=O)c1ccc(S(=O)(=O)N(C)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1 ZINC000040956663 JG Annotated Anodyne COC(=O)c1ccc(S(=O)(=O)N(C)c2ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c2)cc1 ZINC000040956666 JG Annotated Anodyne O=[N+]([O-])c1ccc(/C=C(\c2nc3ccccc3s2)C(P(=O)(O)O)P(=O)(O)O)cc1 ZINC000040956739 JG Annotated Bother CCN(CC)C(=O)c1c(NCC(C)C)c2cccnc2n2c(CC(=O)NCC(C)C)nnc12 ZINC000040957633 JG Annotated Anodyne CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 ZINC000040972624 JG Annotated Anodyne CCCCCCC(=O)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000040974397 JG Annotated Anodyne O=[N+]([O-])c1ccccc1/C=C(\c1nc2ccccc2s1)C(P(=O)(O)O)P(=O)(O)O ZINC000040974581 JG Annotated Bother CN(C)Cc1ccc(N[C@H]2C(=O)[C@H](Cl)[C@@H](Nc3ccc(CN(C)C)cc3)C(=O)[C@H]2Cl)cc1 ZINC000042784538 JG Annotated Reactive CC1=C(C)C(=O)O[C@@H]([C@]2(C)OC(=O)[C@]34CC[C@H]5[C@@H](C[C@H]6O[C@]67[C@@H](O)CCC(=O)[C@]57C)[C@@H]3CC[C@@H]42)C1 ZINC000042805598 JG Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)[C@](C)([C@@H]2C[C@H]3C=CO[C@H]3O2)[C@H]2C[C@@H]3C[C@]4(CO4)[C@]12[C@@H](OC(=O)C(C)C)O3 ZINC000042851148 JG Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)[C@](C)([C@@H]2C[C@H]3C=CO[C@H]3O2)[C@H]2C[C@@H]3C[C@]4(CO4)[C@]12[C@H](OC(=O)C(C)C)O3 ZINC000042851151 JG Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(C)=O)C[C@H](O)[C@]43O)C2)O[C@H](C)[C@H]1N ZINC000042852254 JG Annotated Anodyne in-vitro biogenic C=C1[C@@H](C)[C@H]2[C@H](Cc3ccc(O)cc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000042852592 JG Annotated Mild COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccco5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O ZINC000042852756 JG Annotated Anodyne C[C@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C ZINC000042875822 JG Annotated Mild C=C1[C@@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C=C1CC(=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000042876289 JG Annotated Mild Cc1ccsc1CN1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000042878797 JG Annotated Anodyne C/C1=C/[C@@H](C)[C@H](O)C/C=C/CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)/C=C/CC1CC(=O)NC(=O)C1 ZINC000042878935 JG Annotated Mild COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](CCSC)N(C(=O)CN)C2(C)C)c2ncccc2c1 ZINC000042887501 JG Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)[C@H](CCSC)N(C(=O)CN)C2(C)C)c2ncccc2c1 ZINC000042887504 JG Annotated Anodyne COc1cc(O)c2c(=O)c3cc(N)c(N4CCN(c5nc6ccccc6o5)CC4)cc3n(C)c2c1 ZINC000042891344 JG Annotated Bother Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc(F)cc(C(F)(F)F)c1)C1=C(N2)c2ccccc2C1=O ZINC000042967072 JG Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc(F)cc(C(F)(F)F)c1)C1=C(N2)c2ccccc2C1=O ZINC000042967074 JG Annotated Mild Cc1noc(C)c1-c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1 ZINC000042989851 JG Annotated Anodyne CCCCCCC(=O)N1CCN(c2ccc(N3C[C@H](Cn4cc(C)nn4)OC3=O)cc2F)CC1 ZINC000043009717 JG Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Br)c1)C1=C(C[C@H](c3ccco3)CC1=O)N2 ZINC000043013111 JG Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Br)c1)C1=C(C[C@H](c3ccco3)CC1=O)N2 ZINC000043013113 JG Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Br)c1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 ZINC000043013115 JG Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Br)c1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 ZINC000043013116 JG Annotated Mild C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@@H]2C[C@H]1C[C@H]3O ZINC000043014400 JG Annotated Mild CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)C[C@H](C)O)c(O)c1-c1ccc(O)cc1 ZINC000043015289 JG Annotated Anodyne in-vitro biogenic CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)C[C@@H](C)O)c(O)c1-c1ccc(O)cc1 ZINC000043015292 JG Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(C(F)(F)F)c1F)C1=C(N2)c2ccccc2C1=O ZINC000043017144 JG Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(C(F)(F)F)c1F)C1=C(N2)c2ccccc2C1=O ZINC000043017147 JG Annotated Mild O=C(CN1CC[C@H](NC(=O)c2ccc(Cl)s2)C1)Nc1ccc(-n2ccccc2=O)cc1F ZINC000043019460 JG Annotated Anodyne O=C(CN1CC[C@@H](NC(=O)c2ccc(Cl)s2)C1)Nc1ccc(-n2ccccc2=O)cc1F ZINC000043019461 JG Annotated Anodyne in-vivo CC(=O)OCCCCn1c(CN2C(=O)/C(=N/OCCF)c3cccnc32)nc2ccccc21 ZINC000043020754 JG Annotated Mild CCN(CC)C(=O)CO/N=C1/C(=O)N(Cc2nc3ccccc3n2CCCOC)c2ccccc21 ZINC000043023039 JG Annotated Mild [O-][n+]1nc2c(I)cnn2c2cc(OCc3ccc(Cl)cc3)ccc21 ZINC000043023439 JG Annotated Anodyne CCCc1cc(OC)cc2nc(-c3cccnc3N3CCN(C4CCN(C)CC4)CC3)oc(=O)c12 ZINC000043059418 JG Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cnc3ccn(S(=O)(=O)c4ccccc4[N+](=O)[O-])c3c2)CC1 ZINC000043060003 JG Annotated Bother CCCc1nn(CN2CCN(C)CC2)c(=S)n1/N=C/c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000043060125 JG Annotated Mild CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000043061101 JG Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000043061104 JG Annotated Anodyne CN(C)CCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br ZINC000043063799 JG Annotated Anodyne Cc1cc2cc(N/C(=N\C#N)N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)cc(Cl)c2o1 ZINC000043064597 JG Annotated Mild O=c1ccc(-c2ccccc2)nn1-c1ccc(S(=O)(=O)/N=C(\O)NC2CCCCC2)cc1 ZINC000043072546 JG Annotated Mild Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)/C=C/c5ccccc5)CC4)c(F)c3)C(=O)O2)nn1 ZINC000043074204 JG Annotated Anodyne Cc1cnc(CN2CC(=O)N(CC(C)C)c3c(Cl)nc(N)nc32)c(C)c1Br ZINC000043075472 JG Annotated Anodyne COc1ccc(-c2ccc3nc(NCCN4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)cn1 ZINC000043076605 JG Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(F)c(F)c1F)C1=C(C[C@H](c3ccco3)CC1=O)N2 ZINC000043077423 JG Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(F)c(F)c1F)C1=C(C[C@H](c3ccco3)CC1=O)N2 ZINC000043077426 JG Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(F)c(F)c1F)C1=C(C[C@@H](c3ccco3)CC1=O)N2 ZINC000043077430 JG Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(F)c(F)c1F)C1=C(C[C@@H](c3ccco3)CC1=O)N2 ZINC000043077432 JG Annotated Mild CCN(CC)CCNCCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4 ZINC000043120014 JG Annotated Bother O=C(O)c1cn(C2CC2)c2nc(N3CCC[C@H]3Cn3cc(Cc4ccccc4)nn3)c(F)cc2c1=O ZINC000043121174 JG Annotated Anodyne CCc1cc(OC)cc2nc(-c3cccnc3N3CCN(C4CCN(C)CC4)CC3)oc(=O)c12 ZINC000043122032 JG Annotated Anodyne C[C@H]1[C@H](O)C(C)(C)C[C@@H](OC(=O)NC(=O)[C@H]2CN3CC[C@@H]2C3)[C@]2(C)[C@H](C)CC[C@]13CCC(=O)[C@H]32 ZINC000043134424 JG Annotated Anodyne COc1ccc(N2C[C@H](C)N[C@H](C)C2)nc1NS(=O)(=O)c1ccc(-c2ccoc2)cc1Cl ZINC000043173790 JG Annotated Anodyne Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)c[nH]c3=O)cc2F)o1 ZINC000043173801 JG Annotated Anodyne Nc1c(F)c(NCCNc2ccccn2)c2c3c1c(=O)c(C(=O)O)cn3C1(CCCC1)CO2 ZINC000043203532 JG Annotated Anodyne CCC(CC)Oc1ccc2n(n1)c(N)n[n+]2CC(=O)c1cc(OCCOC)cc(C(C)(C)C)c1 ZINC000043206785 JG Annotated Mild CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(Br)c3c2)c1F ZINC000043208608 JG Annotated Anodyne CCCCCCCCn1c2nc(=O)n(CC(=O)OCC)c(=O)c-2cc2cc([N+](=O)[O-])ccc21 ZINC000043226643 JG Annotated Mild CN1CCN(C)C1=N/N=C/c1c2ccccc2c(/C=N/N=C2N(C)CCN2C)c2ccccc12 ZINC000043397067 JG Annotated Mild C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@]2(C)[C@@]2(C(=O)OC)C(=O)[C@@H](C)OC(=O)[C@]12C ZINC000043509735 JG Annotated Anodyne C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@]2(C)[C@@]2(C(=O)OC)C(=O)[C@H](C)OC(=O)[C@]12C ZINC000043509738 JG Annotated Anodyne C=C1C[C@@H]2[C@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@]2(C)[C@@]2(C(=O)OC)C(=O)[C@@H](C)OC(=O)[C@]12C ZINC000043509740 JG Annotated Anodyne C=C1C[C@@H]2[C@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@]2(C)[C@@]2(C(=O)OC)C(=O)[C@H](C)OC(=O)[C@]12C ZINC000043509743 JG Annotated Anodyne CO[C@@]12C[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@@H]3CC[C@@](O)([C@@H]([C@H]4CC(C)=C(C)C(=O)O4)CO1)[C@]32C ZINC000043562068 JG Annotated Mild CC1=C(C)[C@H](O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000043562106 JG Annotated Mild CC1=C(C)[C@@H](O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000043562107 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@]2(C)OC(=O)[C@]34CC[C@H]5[C@@H](C[C@H]6O[C@]67[C@@H](O)C=CC(=O)[C@]57C)[C@@H]3CC[C@@H]42)C1 ZINC000043620322 JG Annotated Mild COC(=O)c1ccccc1S(=O)(=O)OCC[C@@H]1CCC[C@@H]2CC[C@]3(C)OO[C@]12[C@@H](OC)O3 ZINC000043860831 JG Annotated Reactive COC(=O)c1ccccc1S(=O)(=O)OCC[C@@H]1CCC[C@@H]2CC[C@@]3(C)OO[C@@]12[C@@H](OC)O3 ZINC000043860832 JG Annotated Reactive CC1=C(C)C(=O)O[C@@H]([C@H]2CO[C@@]3(O)C[C@H]4[C@@H](C[C@H]5O[C@]56CCCC(=O)[C@]46C)[C@@H]4CC[C@]2(O)[C@]43C)C1 ZINC000044069741 JG Annotated Anodyne CC1=C(C)[C@H](O)O[C@@H]([C@](C)(O)[C@@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000044086424 JG Annotated Anodyne CC1=C(C)[C@@H](O)O[C@@H]([C@](C)(O)[C@@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000044086427 JG Annotated Anodyne CC1=C(C)[C@H](O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000044086430 JG Annotated Mild CC1=C(C)[C@@H](O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000044086433 JG Annotated Mild CCOc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OCC)C(=O)C(NCCO)=CC3=O)C2=O ZINC000044087042 JG Annotated Mild C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)CO[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4OC(C)=O)[C@H]2CC[C@@H]1C3 ZINC000044221236 JG Annotated Mild C=C1C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)CO[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4OC(C)=O)[C@H]2CC[C@@H]1C3 ZINC000044221240 JG Annotated Mild C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)CO[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4OC(C)=O)[C@@H]2CC[C@@H]1C3 ZINC000044221245 JG Annotated Mild C=C1C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)CO[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4OC(C)=O)[C@@H]2CC[C@@H]1C3 ZINC000044221250 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)C1 ZINC000044306005 JG Annotated Mild in-vitro biogenic C[C@H]1C[C@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)[C@H](O)C[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000044360196 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)C(=O)C=C[C@H](O)C2=C[C@@H]4O)C1 ZINC000044386914 JG Annotated Mild C[C@H](CO)[C@H](C)/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044386928 JG Annotated Anodyne CC(C)[C@@H](O)/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@]3(O)C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044387599 JG Annotated Anodyne CC(C)[C@@H](O)/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@]3(O)C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044387602 JG Annotated Anodyne CC(C)[C@@H](CCO)CC[C@@H](C)[C@H]1[C@@H](O)[C@@H](O)[C@H]2[C@]3(O)C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044388166 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000044388455 JG Annotated Mild CC1=C(C)C(=O)O[C@@H](/C(C)=C2\[C@H](O)C[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000044388458 JG Annotated Mild C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3O)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000044404085 JG Annotated Mild C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000044404819 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000044404912 JG Annotated Mild C[C@H](CO)C/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@]3(O)C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044405010 JG Annotated Anodyne C[C@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CCO ZINC000044431403 JG Annotated Anodyne C[C@@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CCO ZINC000044431406 JG Annotated Anodyne C[C@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CCO ZINC000044431409 JG Annotated Anodyne C[C@@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CCO ZINC000044431412 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCC#N ZINC000004528336 JG Annotated Mild Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCC#N ZINC000004528337 JG Annotated Mild Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCC#N ZINC000004528339 JG Annotated Mild Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCC#N ZINC000004528340 JG Annotated Mild C=CCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2c1=O ZINC000004654508 JG Annotated Mild O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c21 ZINC000004732280 JG Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)c21 ZINC000004732295 JG Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N(C)Cc3ccccc3)c21 ZINC000004757892 JG Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N3CCc4ccccc43)c21 ZINC000004757911 JG Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)Nc3ccccc3C)c21 ZINC000004757920 JG Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N[C@H]3CCCC[C@@H]3C)c21 ZINC000004757940 JG Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N[C@@H]3CCCC[C@H]3C)c21 ZINC000004757942 JG Annotated Anodyne COc1ccc(CNS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)[C@H](C)C3)cc1 ZINC000004759341 JG Annotated Anodyne COc1ccc(CNS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)[C@@H](C)C3)cc1 ZINC000004759347 JG Annotated Anodyne COc1cccc(CNS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)[C@H](C)C3)c1 ZINC000004759448 JG Annotated Anodyne COc1cccc(CNS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)[C@@H](C)C3)c1 ZINC000004759452 JG Annotated Anodyne O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004763476 JG Annotated Anodyne Cc1ccc(C)c(N2CCN(C(=O)c3ccc(Cn4c(=O)[nH]c5ccsc5c4=O)cc3)CC2)c1 ZINC000004763515 JG Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)Nc3cccc(C)n3)c21 ZINC000004765348 JG Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCCC2=O)[C@H]1c1cn(C)c2ccccc12 ZINC000004793437 JG Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCCC2=O)[C@@H]1c1cn(C)c2ccccc12 ZINC000004793442 JG Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCCC2=O)[C@H]1c1cn(C)c2ccccc12 ZINC000004793445 JG Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCCC2=O)[C@@H]1c1cn(C)c2ccccc12 ZINC000004793449 JG Annotated Anodyne COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4cc5c(F)cc(F)cc5[nH]4)CC3)c2n1 ZINC000045167642 JG Annotated Anodyne CCOC(=O)NC1=NC(C)(C)N(OCCCOc2ccc(C)cc2C)C(NC(=O)OCC)=N1 ZINC000045167952 JG Annotated Anodyne CC1(C)N=C(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N=C(N)N1OCc1cccc2ccccc12 ZINC000045168488 JG Annotated Bother O=S1N=C(NCCCN(Cc2cccs2)c2ccccn2)C(NCc2ccccc2)=N1 ZINC000045189172 JG Annotated Anodyne Cc1cc(Br)c(OCCCON2C(=N)NC(=N)NC2(C)C)c(Br)c1 ZINC000045189441 JG Annotated Anodyne CN1CCC(NCc2ccc(-c3cccc(S(=O)(=O)NCCc4ccccn4)c3)cc2)CC1 ZINC000045190597 JG Annotated Anodyne CN1CCC(NCc2cccc(-c3ccc(S(=O)(=O)NCCc4ccccn4)cc3)c2)CC1 ZINC000045191179 JG Annotated Anodyne COc1ccc(CNC2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NCc2cccnc2)s1 ZINC000045192030 JG Annotated Anodyne COc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5cccc(O)c5c(=O)[nH]4)CC3)c2c1 ZINC000045194889 JG Annotated Anodyne COc1ccc2ncc(F)c(CCN3CC[C@@H](CNCc4nc5c(cc4C)SCC(=O)N5)C3)c2n1 ZINC000045201164 JG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC3(CC2)OCC(=O)N[C@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000045201952 JG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC3(CC2)OCC(=O)N[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000045201955 JG Annotated Anodyne COc1ccc(CNC2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NCCc2ccccn2)cc1 ZINC000045202018 JG Annotated Anodyne COc1ccc2nccc(N(C)CC3(O)CCN(CCc4ccc5c(c4)NC(=O)CS5)CC3)c2n1 ZINC000045210005 JG Annotated Anodyne COc1ccc2nccc(N3CCC(CCNCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1 ZINC000045230616 JG Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)CN2C(=O)[C@H](C)NC23CCCCC3)c2ncccc2c1 ZINC000045245178 JG Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)CN2C(=O)[C@H](C)NC23CCCCC3)c2ncccc2c1 ZINC000045245179 JG Annotated Anodyne CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCc3ccn(C)n3)cn2)o1)C1CCCCC1 ZINC000045245305 JG Annotated Anodyne C/C(O)=N/C(=N/c1ccc2oc(C)cc2c1)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O ZINC000045252895 JG Annotated Mild O=C(C(=O)N1CCN(C(=O)c2sccc2Br)CC1)c1c[nH]c2cccc(F)c12 ZINC000045252927 JG Annotated Anodyne Cc1cc(C)cc(Oc2c(CN3CCC[C@H](C(N)=O)C3)c(C)[nH]c(=O)c2I)c1 ZINC000045253041 JG Annotated Anodyne Cc1cc(C)cc(Oc2c(CN3CCC[C@@H](C(N)=O)C3)c(C)[nH]c(=O)c2I)c1 ZINC000045253043 JG Annotated Anodyne CCOC(=O)/N=C(\Nc1ccc2oc(C)cc2c1)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O ZINC000045253450 JG Annotated Mild CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cnn(C)c3)cc2)o1)C1CCCCC1 ZINC000045253699 JG Annotated Anodyne O=C(NNC(=O)c1csc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1)C1=CCC=C1 ZINC000045254157 JG Annotated Reactive O=C1O[C@@H](CN=C=S)CN1c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)c(F)c1 ZINC000045254552 JG Annotated Reactive C[C@@H](c1ccccc1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C)C(=O)C(C)(C)C ZINC000045254719 JG Annotated Anodyne CC(=O)O[C@@H]1[C@@H]([C@@H](C)OC(=O)CCCc2ccccc2)C(=O)N1C(=O)CCc1ccccc1 ZINC000045254964 JG Annotated Anodyne CSc1nn(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)c2nc3c(C#N)c(N)nn3c(N)c12 ZINC000045255531 JG Annotated Mild O=C1O[C@@H](CNc2ccon2)CN1c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)c(F)c1 ZINC000045256929 JG Annotated Bother CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3ccn(C)n3)cc2)o1)C1CCCCC1 ZINC000045258399 JG Annotated Anodyne CCCOCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2cc(NC(C)=O)ccc2O)CC1 ZINC000045260884 JG Annotated Anodyne Cc1cc(C)cc(Sc2c(Cn3ncnn3)c(C)[nH]c(=O)c2I)c1 ZINC000045283841 JG Annotated Anodyne CC(=O)O[C@@H]1[C@@H]([C@@H](C)OC(=O)CCc2ccccc2)C(=O)N1C(=O)CCCc1ccccc1 ZINC000045285970 JG Annotated Anodyne CCN(CC)CC(=O)NCc1cccc2cc3cccc(CNC(=O)CN(CC)CC)c3nc12 ZINC000045286133 JG Annotated Bother CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)c2ccccc21 ZINC000045286618 JG Annotated Anodyne C[N+]1(CC(=O)NCc2cccc3cc4cccc(CNC(=O)C[N+]5(C)CCCC5)c4nc23)CCCC1 ZINC000045287356 JG Annotated Mild Cn1ccnc1-c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 ZINC000045288004 JG Annotated Anodyne CC(=O)c1ccc2c(n1)c(S(=O)(=O)c1ccc(Br)cc1)cn2CCN(C)C ZINC000045288556 JG Annotated Anodyne COc1cc(-c2nnc(COC[C@@H]3CC(c4cccc([N+](=O)[O-])c4)=NO3)o2)cc(OC)c1OC ZINC000045288646 JG Annotated Bother COc1cc(-c2nnc(COC[C@H]3CC(c4cccc([N+](=O)[O-])c4)=NO3)o2)cc(OC)c1OC ZINC000045288650 JG Annotated Bother CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCc3cc(C)[nH]n3)cn2)o1)C1CCCCC1 ZINC000045291060 JG Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)CN(C(=O)[C@H](N)C(C)C)C2(C)C)c2ncccc2c1 ZINC000045291813 JG Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)CN(C(=O)[C@H](N)C(C)C)C2(C)C)c2ncccc2c1 ZINC000045291816 JG Annotated Anodyne C[C@H]1Cn2cc(-c3nc4c(cc3F)C(=O)[C@@H](C(=O)O)CN4c3ccc(F)cc3F)cc2CN1 ZINC000045298331 JG Annotated Anodyne C[C@H]1Cn2cc(-c3nc4c(cc3F)C(=O)[C@H](C(=O)O)CN4c3ccc(F)cc3F)cc2CN1 ZINC000045298333 JG Annotated Anodyne O=C1CSC(=S)N1c1ccc(S(=O)(=O)c2ccc(N3C(=O)CSC3=S)cc2)cc1 ZINC000045298613 JG Annotated Clean C=C[C@]1(C)C[C@@H](OC(=O)c2cncn(COC)c2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000045301228 JG Annotated Mild Cc1cc(I)ccc1Nc1c(C(=O)N2CCNCC2)cc2nc[nH]c2c1F ZINC000045302448 JG Annotated Anodyne CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCc3cc(C)n(C)n3)cn2)o1)C1CCCCC1 ZINC000045302970 JG Annotated Anodyne Cc1cc(C)cc(Sc2c(Cn3cnnn3)c(C)[nH]c(=O)c2I)c1 ZINC000045303321 JG Annotated Anodyne Cc1c2c(nn1CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)-c1ccccc1S(=O)(=O)N2C ZINC000045314944 JG Annotated Reactive O=C1O[C@@H](COc2ccon2)CN1c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)c(F)c1 ZINC000045315715 JG Annotated Bother C[C@H](c1ccccc1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C)C(=O)C(C)(C)C ZINC000045317977 JG Annotated Anodyne Cc1c2c(nn1CC(=O)N/N=C/c1ccc(Cl)cc1Cl)-c1ccccc1S(=O)(=O)N2C ZINC000045318028 JG Annotated Reactive COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C[C@H](C)[C@@](C)(O)[C@H]2OC(C)=O ZINC000045318561 JG Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)CN(C(=O)[C@H](N)CCSC)C2(C)C)c2ncccc2c1 ZINC000045319439 JG Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)CN(C(=O)[C@H](N)CCSC)C2(C)C)c2ncccc2c1 ZINC000045319443 JG Annotated Anodyne COc1ccc2nccc([C@H](O)CN3CCC(NCc4ccc5c(c4C)OCCO5)CC3)c2n1 ZINC000045323501 JG Annotated Anodyne COc1ccc2ncc(F)c(CCN3CCC[C@H](CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1 ZINC000045324230 JG Annotated Anodyne COc1ccc2ncc(F)c(CCN3CC[C@@H](CNCc4cc5c(cn4)OCS5)C3)c2n1 ZINC000045334738 JG Annotated Anodyne COC(=O)c1c(S(=O)(=O)N2CCCC2)sc2c1CCN(Cc1c[nH]nc1-c1ccccc1)C2 ZINC000045335457 JG Annotated Anodyne O=C([C@@H]1O[C@@]2(c3ccccc3)CN(C(c3ccccc3)c3ccccc3)C(=O)[C@@H]1O2)N1CCOCC1 ZINC000045335512 JG Annotated Anodyne O=C1COc2ccc(Cl)cc2N1C[C@](O)(Cn1cncn1)c1ccc(Br)cc1 ZINC000045335670 JG Annotated Anodyne O=C1COc2ccc(Cl)cc2N1C[C@@](O)(Cn1cncn1)c1ccc(Br)cc1 ZINC000045335673 JG Annotated Anodyne CN(C)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1 ZINC000045336569 JG Annotated Anodyne COc1ccc(CNC2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)s1 ZINC000045337291 JG Annotated Anodyne COc1ccc(CNC2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NC[C@H]2CCCO2)s1 ZINC000045337293 JG Annotated Anodyne CS(=O)(=O)c1ccccc1-c1ccc(Cn2cc(C(=O)O)c(=O)c3cccc(F)c32)nc1 ZINC000045338245 JG Annotated Anodyne CS(=O)(=O)c1cccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)nc2)c1 ZINC000045338617 JG Annotated Anodyne CN(CCN)C(=O)[C@@H]1O[C@@]2(c3ccccc3)CN(C(c3ccccc3)c3ccccc3)C[C@@H]1O2 ZINC000045338672 JG Annotated Anodyne CS(=O)(=O)c1cccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)cn2)c1 ZINC000045338852 JG Annotated Anodyne COc1ccc2c(c1)SCC(=O)N2C[C@@](O)(Cn1cncn1)c1ccc(Br)cc1 ZINC000045339580 JG Annotated Anodyne COc1ccc2c(c1)SCC(=O)N2C[C@](O)(Cn1cncn1)c1ccc(Br)cc1 ZINC000045339581 JG Annotated Anodyne COCOc1cc(OCOC)c2c(c1)O/C(=C\c1ccc(OCOC)c(OCOC)c1)C2=O ZINC000045349521 JG Annotated Mild CS(=O)(=O)N1CCC(n2cc(-c3nnc(-c4ccccc4)c(-c4ccccc4)n3)nn2)CC1 ZINC000045349593 JG Annotated Anodyne OCCOCCOCCOc1ccc(-c2nnc(-c3ccc(I)cc3)o2)cc1 ZINC000045354143 JG Annotated Anodyne OCCOCCOc1ccc(-c2nnc(-c3ccc(I)cc3)o2)cc1 ZINC000045354356 JG Annotated Anodyne CS(=O)(=O)c1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)nc2)cc1 ZINC000045354701 JG Annotated Anodyne O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Br)cc1F ZINC000045355352 JG Annotated Anodyne C[C@@H](CN1CCN(c2ncccn2)CC1)NC(=O)c1cc2c(-c3ccccc3)nn(C)c2s1 ZINC000045357293 JG Annotated Anodyne C[C@H](CN1CCN(c2ncccn2)CC1)NC(=O)c1cc2c(-c3ccccc3)nn(C)c2s1 ZINC000045357296 JG Annotated Anodyne CC(=O)NC1=CC(=O)c2ccc(-c3nc(C(=O)N4CCCC4)cc4c3[nH]c3ccccc34)nc2C1=O ZINC000045364928 JG Annotated Mild COC(=O)c1ccc(C(=O)CN2C(C(=O)c3ccccc3)=C(O)c3ccccc3S2(=O)=O)cc1 ZINC000045366770 JG Annotated Mild CCC(c1c(O)c(C(C)=O)c(O)c(C(C)=O)c1O)c1c(O)c(C(C)=O)c(O)c(C(C)=O)c1O ZINC000045373104 JG Annotated Anodyne CCCCNC(=O)[C@@H](c1cccc(OC)c1)N1C(=O)c2cc(OCCCC)ccc2NC(=O)[C@H]1CO ZINC000045373908 JG Annotated Anodyne CCCCNC(=O)[C@H](c1cccc(OC)c1)N1C(=O)c2cc(OCCCC)ccc2NC(=O)[C@H]1CO ZINC000045373914 JG Annotated Anodyne CCCCNC(=O)[C@@H](c1cccc(OC)c1)N1C(=O)c2cc(OCCCC)ccc2NC(=O)[C@@H]1CO ZINC000045373917 JG Annotated Anodyne CCCCNC(=O)[C@H](c1cccc(OC)c1)N1C(=O)c2cc(OCCCC)ccc2NC(=O)[C@@H]1CO ZINC000045373921 JG Annotated Anodyne O[C@H]1CN=C(c2ccc(Oc3ccc(-c4cc5ccc(C6=NC[C@H](O)CN6)cc5[nH]4)cc3)cc2)NC1 ZINC000045385278 JG Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2cccc(-n3cc(-c4ccc5c(c4)CCNC5=O)c(N)n3)c2)c1 ZINC000045387609 JG Annotated Anodyne CCOC(=O)c1cc2c([nH]c3ccc(O)cc32)c(-c2ccc3c(n2)C(=O)C(NC(C)=O)=CC3=O)n1 ZINC000045388009 JG Annotated Mild C[C@@H](CN1CCN(c2ncccn2)CC1)NC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1 ZINC000045388148 JG Annotated Anodyne C[C@H](CN1CCN(c2ncccn2)CC1)NC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1 ZINC000045388151 JG Annotated Anodyne C/C(=C\[C@@H](C)CC/C=C/CC/C=C/C(=O)O)[C@@H](O)[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000045495056 JG Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)CN(C(=O)[C@@H](N)C(C)C)C2(C)C)c2ncccc2c1 ZINC000045495893 JG Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)CN(C(=O)[C@@H](N)C(C)C)C2(C)C)c2ncccc2c1 ZINC000045495895 JG Annotated Anodyne CNC(=N)SCCCn1c(=O)c2n3ccc4cccc(c43)c3cc4ccccc4n3c=2c1=O ZINC000045496699 JG Annotated Bother Cc1ccc(CN2CCN(c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)CC2)s1 ZINC000045498365 JG Annotated Anodyne COc1cc(OC)c2c(=O)c3cc(N)c(N4CCN(c5nccs5)CC4)cc3n(C)c2c1 ZINC000045506395 JG Annotated Bother C/C1=C\[C@@H]2[C@H](CC[C@@](C)(O)[C@H](O)[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@H](C)C[C@]3(O)[C@H]1O)C2(C)C ZINC000473081146 JG Annotated Anodyne Cc1cn(-c2ncc(-c3cn([C@H]4CCc5c(F)cccc5N(CC(F)(F)F)C4=O)nn3)cn2)cn1 ZINC000473082090 JG Annotated Anodyne Cc1cn(-c2ncc(-c3cn([C@@H]4CCc5c(F)cccc5N(CC(F)(F)F)C4=O)nn3)cn2)cn1 ZINC000473082095 JG Annotated Anodyne CC(C)[C@@]1(n2cc(-c3ccccc3)nn2)Oc2c(cc3ccc(=O)oc3c2CN2CCN(C)CC2)C1=O ZINC000473083717 JG Annotated Anodyne CC(C)[C@]1(n2cc(-c3ccccc3)nn2)Oc2c(cc3ccc(=O)oc3c2CN2CCN(C)CC2)C1=O ZINC000473083727 JG Annotated Anodyne CCCCCCCCc1cc(-c2cn([C@H]3C[C@H](OC(C)=O)[C@@H](COC(C)=O)O3)c(=O)nc2O)no1 ZINC000473086098 JG Annotated Mild CCN1C(=S)N2CCC[C@H]2c2c1nc(-c1ccc(OC)c(O)c1)c(C#N)c2N1CCOCC1 ZINC000473086124 JG Annotated Mild CCN1C(=S)N2CCC[C@@H]2c2c1nc(-c1ccc(OC)c(O)c1)c(C#N)c2N1CCOCC1 ZINC000473086132 JG Annotated Mild O=C(c1ccccc1-c1ncccn1)N1C[C@H]2CC[C@H]1[C@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473088013 JG Annotated Anodyne COC[C@@H]1C(=O)N2Cc3cc(OCc4cccc(C#N)c4)ccc3C[C@@H]2C(=O)N1C1CCCC1 ZINC000473088044 JG Annotated Mild COC[C@H]1C(=O)N2Cc3cc(OCc4cccc(C#N)c4)ccc3C[C@@H]2C(=O)N1C1CCCC1 ZINC000473088047 JG Annotated Mild O=C(CCBr)NCC1=Cc2cc(Br)ccc2O[C@@]1(O)C(F)(F)F ZINC000473088423 JG Annotated Reactive O=C(CCBr)NCC1=Cc2cc(Br)ccc2O[C@]1(O)C(F)(F)F ZINC000473088428 JG Annotated Reactive O=C1[C@H]2Cc3ccc(OCc4cccc(N5CCOCC5)c4)cc3CN2C(=O)CN1C1CCCC1 ZINC000473088706 JG Annotated Anodyne O=C(c1ccc2c(n1)NCCC2)N1CCN(Cc2ccc(I)cc2)CC1 ZINC000473090847 JG Annotated Anodyne O=C1CCN2C(=N1)SC1=C2CC[C@H](NC(=O)c2cc(Br)c(Br)[nH]2)C1 ZINC000473091502 JG Annotated Anodyne CCNC(=O)c1cccc(COc2ccc3c(c2)CN2C(=O)CN(C4CCCC4)C(=O)[C@H]2C3)c1 ZINC000473092820 JG Annotated Anodyne C[C@@H](c1nc(N2CCOCC2)c2c(n1)N(c1ccccc1)C(=S)N1CCC[C@H]21)N1CCOCC1 ZINC000473093992 JG Annotated Anodyne C[C@@H](c1nc(N2CCOCC2)c2c(n1)N(c1ccccc1)C(=S)N1CCC[C@@H]21)N1CCOCC1 ZINC000473093993 JG Annotated Anodyne C[C@H](c1nc(N2CCOCC2)c2c(n1)N(c1ccccc1)C(=S)N1CCC[C@@H]21)N1CCOCC1 ZINC000473093994 JG Annotated Anodyne C[C@H](c1nc(N2CCOCC2)c2c(n1)N(c1ccccc1)C(=S)N1CCC[C@H]21)N1CCOCC1 ZINC000473093995 JG Annotated Anodyne COc1cncc(-c2cnc(N[C@@H]3CCNC[C@H]3OCC3CCOCC3)c3nc(O)c(C)cc23)c1 ZINC000473094796 JG Annotated Anodyne CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2 ZINC000473095828 JG Annotated Anodyne CS(=O)(=O)c1cnc(O[C@@H]2CC[C@@H](OC3CCN(CC4(C(F)(F)F)CC4)CC3)CC2)cn1 ZINC000473096825 JG Annotated Anodyne Oc1ccc(C[C@H]2CN3C(=CC4=NC[C@H](Cc5ccc(O)cc5)N4C[C@@H]3Cc3ccc(O)cc3)N2)cc1 ZINC000473096967 JG Annotated Anodyne CC(=O)O[C@H]1CN(Cc2ccc3ccccc3c2)[C@H](CCCCCN)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000473097821 JG Annotated Anodyne CS(=O)(=O)c1cnc(O[C@@H]2CC[C@@H](OC3CCN(CC4(F)CCCC4)CC3)CC2)cn1 ZINC000473105964 JG Annotated Anodyne C=CC(=O)Nc1cccc(CN=c2[nH]c(Nc3cnn(CCOC(F)F)c3)ncc2Cl)c1 ZINC000473107267 JG Annotated Anodyne CCC(=O)Nc1cccc(Oc2nc(N=c3[nH][nH]c4ccccc34)cc(N3CCN(C)CC3)n2)c1 ZINC000473107737 JG Annotated Anodyne C=CC(=O)Nc1cccc(Oc2nc(N=c3[nH][nH]c4ccccc34)cc(N3CCN(C)CC3)n2)c1 ZINC000473108273 JG Annotated Anodyne Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)S(=O)(=O)N(Cc2ccc(C(=O)NO)cc2)C3=O)cc1 ZINC000473108493 JG Annotated Anodyne C=CC(=O)Nc1cccc(Oc2nc(N=c3[nH][nH]c4ccccc34)cc(N3CCN(C(C)=O)CC3)n2)c1 ZINC000473109889 JG Annotated Anodyne C=CC(=O)Nc1cccc(-c2nc(N=c3[nH][nH]c4ccccc34)cc(N3CCN(C)CC3)n2)c1 ZINC000473109926 JG Annotated Anodyne C[C@]1(OO)C=C[C@](O)(c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3n2)O1 ZINC000473111210 JG Annotated Reactive C[C@@]1(OO)C=C[C@](O)(c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3n2)O1 ZINC000473111212 JG Annotated Reactive C[C@]1(OO)C=C[C@@](O)(c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3n2)O1 ZINC000473111214 JG Annotated Reactive C[C@@]1(OO)C=C[C@@](O)(c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3n2)O1 ZINC000473111216 JG Annotated Reactive CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@H]2C)C1(C)C ZINC000473111278 JG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)C[C@H]2NC(=O)[C@H](CC1CCCC1)NC(=O)N[C@@H](CCCCN)C(=O)O ZINC000473111283 JG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)C[C@@H]2NC(=O)[C@H](CC1CCCC1)NC(=O)N[C@@H](CCCCN)C(=O)O ZINC000473111286 JG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)C[C@@H]2NC(=O)[C@@H](CC1CCCC1)NC(=O)N[C@@H](CCCCN)C(=O)O ZINC000473111288 JG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)C[C@H]2NC(=O)[C@@H](CC1CCCC1)NC(=O)N[C@@H](CCCCN)C(=O)O ZINC000473111290 JG Annotated Anodyne C[C@@]1(O)C=C[C@@](OO)(c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3n2)O1 ZINC000473111371 JG Annotated Reactive C[C@]1(O)C=C[C@@](OO)(c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3n2)O1 ZINC000473111373 JG Annotated Reactive C[C@@]1(O)C=C[C@](OO)(c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3n2)O1 ZINC000473111374 JG Annotated Reactive C[C@]1(O)C=C[C@](OO)(c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3n2)O1 ZINC000473111376 JG Annotated Reactive CC1(C)[C@H]2CC[C@]1(C)C[C@@H]2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCN)C(=O)O ZINC000473112169 JG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)C[C@H]2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCN)C(=O)O ZINC000473112291 JG Annotated Anodyne CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cn4c(C(=O)NCCO)csc4n3)cc2)[nH]o1 ZINC000473113248 JG Annotated Anodyne O=C(NCCNS(=O)(=O)c1ccccc1)c1ccc(OC2[C@H]3CC4C[C@H]2CC(C(=O)O)(C4)C3)cc1 ZINC000473113682 JG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)C[C@H]2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CSCCN)C(=O)O ZINC000473114077 JG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)C[C@@H]2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CSCCN)C(=O)O ZINC000473114079 JG Annotated Anodyne COc1nc(OC)nc(-c2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)n3c(C)cccc23)n1 ZINC000473114377 JG Annotated Anodyne CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCN(C)CC5)cc4c23)c1 ZINC000473117587 JG Annotated Anodyne NC(=O)CN1CCN(c2ccc(C(F)(F)F)cc2)c2ccc(-c3cccc([C@H](O)CO)n3)cc2C1 ZINC000473118016 JG Annotated Anodyne CC(C)Nc1nc(S(=O)(=O)c2ccc(=N)[nH]c2)ccc1-c1ccc([C@](C)(O)C(F)(F)F)cn1 ZINC000473118608 JG Annotated Anodyne CC(C)Nc1nc(S(=O)(=O)c2ccc(=N)[nH]c2)ccc1-c1ccc([C@@](C)(O)C(F)(F)F)cn1 ZINC000473118610 JG Annotated Anodyne COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CNC(CO)(CO)CO ZINC000473121066 JG Annotated Anodyne NC(=O)CN1Cc2cc(-c3cccc([C@H](O)CO)n3)ccc2Oc2ccc(C(F)(F)F)cc21 ZINC000473122774 JG Annotated Anodyne CC(=O)Nc1ccc(-c2ccc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCN(C)CC5)cc4c23)cc1 ZINC000473123188 JG Annotated Anodyne CC(=O)Nc1ccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)cc1 ZINC000473126347 JG Annotated Anodyne CN1Cc2cc(-c3cccc([C@H](O)[C@@H](O)C(N)=O)n3)ccc2Oc2ccc(C(F)(F)F)cc21 ZINC000473127296 JG Annotated Anodyne CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)c1 ZINC000473127449 JG Annotated Anodyne CCOc1n[nH]c2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4cccnc4)c3F)cc12 ZINC000473131845 JG Annotated Mild COc1cncc(N2CCc3nc(NC(=O)NCCc4cn(CC(C)C)cn4)sc3C2)c1 ZINC000473135162 JG Annotated Anodyne Cn1cc(S(=O)(=O)c2ccc(=N)[nH]c2)nc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000473135307 JG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)C[C@@H]2NC(=O)[C@H](NC(=O)N[C@@H](CCCCN)C(=O)O)C1CCCCC1 ZINC000473135537 JG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)C[C@H]2NC(=O)[C@H](NC(=O)N[C@@H](CCCCN)C(=O)O)C1CCCCC1 ZINC000473135538 JG Annotated Anodyne COc1cncc(N2CCc3nc(NC(=O)NCCc4cn(CC(F)(F)F)cn4)sc3C2)c1 ZINC000473135651 JG Annotated Anodyne COc1cc(Nc2ncc(F)c(=NCC3CC(C)(C)N(C)C(C)(C)C3)[nH]2)cc(-n2nnnc2C)c1 ZINC000473136096 JG Annotated Anodyne CC(C)C[C@H](NC(=O)Cn1c2c(c3cc(Br)ccc31)CC[C@@H](C(=O)O)C2)C(=O)O ZINC000473137298 JG Annotated Anodyne COc1ccc(CSC2=NC3=NC(C)=C(C(N)=O)[C@H](c4ccc(N(C)C)cc4)N3N2)cc1 ZINC000473137613 JG Annotated Clean COc1ccc(CSC2=NC3=NC(C)=C(C(N)=O)[C@@H](c4ccc(N(C)C)cc4)N3N2)cc1 ZINC000473137614 JG Annotated Clean COc1cc(C2=NO[C@@]3(C2)C(=O)O[C@@H]2O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]3[C@@]25OO4)cc(OC)c1OC ZINC000473144255 JG Annotated Reactive Cc1ccc2c3c(nn2c1)CC[C@@](CO)(NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)C3 ZINC000473145075 JG Annotated Anodyne CCN(CCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000473145096 JG Annotated Anodyne CN(CCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N1CCC1)CC2)S(=O)(=O)c1cn(C)cn1 ZINC000473145369 JG Annotated Anodyne CN(CCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N1CCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000473145557 JG Annotated Anodyne COC(=O)c1ccc(C2=NO[C@@]3(C2)C(=O)O[C@@H]2O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]3[C@@]25OO4)cc1 ZINC000473146107 JG Annotated Reactive COc1cc2c(cc1OC)[C@H]1C[C@]3(ON1CC2)C(=O)O[C@@H]1O[C@@]2(C)CC[C@H]4[C@H](C)CC[C@@H]3[C@@]14OO2 ZINC000473146873 JG Annotated Reactive COc1cc2c(cc1OC)[C@@H]1C[C@]3(ON1CC2)C(=O)O[C@@H]1O[C@@]2(C)CC[C@H]4[C@H](C)CC[C@@H]3[C@@]14OO2 ZINC000473146874 JG Annotated Reactive CCO[C@@]12C[C@H]3[C@@H](CC[C@H]4[C@@]5(C(=O)OC)CCC[C@@]34[C@@H](OC)O[C@@H]5OC)[C@@H](C)C1=CC(=O)O2 ZINC000473146949 JG Annotated Anodyne CCO[C@@]12C[C@H]3[C@@H](CC[C@H]4[C@@]5(C(=O)OC)CCC[C@@]34[C@H](OC)O[C@@H]5OC)[C@@H](C)C1=CC(=O)O2 ZINC000473146952 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000473147504 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000473147505 JG Annotated Anodyne COc1ccc2c(c1)CCN1O[C@@]3(C[C@@H]21)C(=O)O[C@@H]1O[C@@]2(C)CC[C@H]4[C@H](C)CC[C@@H]3[C@@]14OO2 ZINC000473149712 JG Annotated Reactive COc1ccc2c(c1)CCN1O[C@@]3(C[C@H]21)C(=O)O[C@@H]1O[C@@]2(C)CC[C@H]4[C@H](C)CC[C@@H]3[C@@]14OO2 ZINC000473149729 JG Annotated Reactive CC[C@H](C)[C@@H](C(=O)N[C@H]1CCO[C@@H](c2nc(C(=O)NCCc3ccccc3)cs2)C1)N(C)C ZINC000473151300 JG Annotated Anodyne CS(=O)(=O)c1ccc(-c2cnn3c2N[C@H](c2cccc(S(=O)(=O)C4CC4)c2)CC3)cc1 ZINC000473152172 JG Annotated Anodyne CS(=O)(=O)c1ccc(-c2cnn3c2N[C@@H](c2cccc(S(=O)(=O)C4CC4)c2)CC3)cc1 ZINC000473152173 JG Annotated Anodyne COc1ccc(C2=NO[C@@]3(C2)C(=O)O[C@@H]2O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]3[C@@]25OO4)cc1OC ZINC000473152363 JG Annotated Reactive CCc1cnc(N)c(-c2nc(=Nc3ccc4c(c3)oc(=O)n4COCC[Si](C)(C)C)[nH]o2)n1 ZINC000473154350 JG Annotated Anodyne Cc1ccc(C(=O)N/C(=N/Cc2nc(C3CC3)cnc2N)Nc2ccc3nc(O)oc3c2)cc1 ZINC000473154468 JG Annotated Mild N=C(N)N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1Cl ZINC000473154905 JG Annotated Mild C[Si](C)(C)CCOCn1c(=O)oc2cc(N=c3nc(-c4nc(Cl)cnc4N)o[nH]3)ccc21 ZINC000473155200 JG Annotated Anodyne COc1ccc(C(=O)N/C(=N/Cc2nc(C3CC3)cnc2N)Nc2ccc3nc(O)oc3c2)cc1 ZINC000473157120 JG Annotated Mild CS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)nc23)cc1 ZINC000473159168 JG Annotated Anodyne O=C(c1cccc(F)c1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](COc1nccc(C(F)(F)F)n1)C2 ZINC000473162457 JG Annotated Anodyne CCOC(=O)COc1cc(-c2nc(OC)[nH]c(=NCCc3ccc(F)cc3)n2)ccc1Cl ZINC000473162947 JG Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccc(F)cc3c2)sc1NC(=O)c1ccc(NCCO)cc1 ZINC000473164819 JG Annotated Anodyne Cc1ccc2c(=O)n(-c3ccc4c(cnn4C)c3)c(CCN3C(=O)c4ccccc4C3=O)nc2c1 ZINC000473165214 JG Annotated Anodyne CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nnc(-c2cccnc2)o1 ZINC000473166230 JG Annotated Anodyne COC1CN(c2ccc(C(=O)NC(C)(C)Cc3nnc(C4CCC4)o3)nc2OCC2CC2)C1 ZINC000473167129 JG Annotated Anodyne CC(C)=CC(=O)O[C@@H]1[C@H](C)C[C@H]2O[C@]1(O)[C@@H](O)[C@@]1(C)CC[C@H](O1)C(C)(C)/C=C/[C@H](C)C2=O ZINC000473169030 JG Annotated Anodyne NNC(=O)c1c[nH]c2ccc(C(F)(F)F)cc2c1=Nc1ccc(NCCCN2CCOCC2)cc1 ZINC000473169324 JG Annotated Reactive Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2cccc(C(F)(F)F)n2)C3)c(-n2ccnn2)n1 ZINC000473170605 JG Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)[C@H]3CCNC3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000473170653 JG Annotated Anodyne Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2cccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1 ZINC000473170664 JG Annotated Anodyne CC/C(C)=C/C(=O)O[C@H]1C(=O)[C@@H](O)[C@@]2(C)CC[C@H](O2)C(C)(C)/C=C/[C@H](C)C(=O)[C@H](O)C[C@H]1C ZINC000473170700 JG Annotated Anodyne CC/C(C)=C/C(=O)O[C@H]1C(=O)[C@@H](O)[C@@]2(C)CC[C@H](O2)C(C)(C)/C=C/[C@H](C)C(=O)[C@@H](O)C[C@H]1C ZINC000473170702 JG Annotated Anodyne NC(=O)c1nc(N=c2cc[nH]c3ccccc23)sc1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000473179075 JG Annotated Anodyne NC(=O)c1[nH]c(=Nc2cccc3ncccc23)sc1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000473179084 JG Annotated Anodyne Cc1nnnn1Cc1ccc(C(=O)Nc2sc(=Nc3ccc4ccccc4c3)[nH]c2C(N)=O)cc1 ZINC000473179092 JG Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2cncn2)cc1 ZINC000473179099 JG Annotated Anodyne NC(=O)c1[nH]c(=Nc2cccc3cccnc23)sc1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000473179111 JG Annotated Anodyne O=C(c1cccc(F)c1-c1ccnnc1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179226 JG Annotated Anodyne O=C(c1cccc(F)c1-c1cccnn1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179239 JG Annotated Anodyne Cc1noc(-c2c(F)cccc2C(=O)N2[C@H]3CC[C@H]2[C@@H](N=c2cnc(C(F)(F)F)c[nH]2)C3)n1 ZINC000473179241 JG Annotated Anodyne O=C(c1cccc(F)c1-c1cnccn1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179311 JG Annotated Anodyne O=C(c1cc(F)ccc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179337 JG Annotated Anodyne O=C(c1ccc(F)cc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179339 JG Annotated Anodyne COc1cccc(-c2c(C)cnn2C)c1C(=O)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179363 JG Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179531 JG Annotated Anodyne COc1cccc(-c2ncccn2)c1C(=O)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179568 JG Annotated Anodyne O=C(c1c(F)cccc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179593 JG Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=C[C@@H]4CN(CC(=O)N5CC(O)C5)C[C@H]4C3)cc12 ZINC000473179595 JG Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=C[C@H]4CN(CC(=O)N5CC(O)C5)C[C@H]4C3)cc12 ZINC000473179596 JG Annotated Anodyne COc1nc(-c2cccc(OC)c2C(C)(C)O)nc(=NCCc2ccc(OC(F)F)cc2)[nH]1 ZINC000473179597 JG Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](N=c1[nH]ccn3c(C(F)(F)F)nnc13)C2 ZINC000473179599 JG Annotated Anodyne COc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](N=c2cnc(C(F)(F)F)c[nH]2)C3)c(-c2ncccn2)c1 ZINC000473179606 JG Annotated Anodyne Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccc(C(F)(F)F)cn2)C3)n1 ZINC000473180334 JG Annotated Anodyne Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccc(Br)cn2)C3)n1 ZINC000473180478 JG Annotated Anodyne COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(N5CCN(C)CC5)ccc43)cc2OC)cn1 ZINC000473182542 JG Annotated Anodyne COC(=O)c1ccc(C(=O)Nc2cc(F)c(F)c([C@]3(C(F)F)NC(=N)O[C@H]4C[C@H]43)c2)cc1 ZINC000473194365 JG Annotated Anodyne Cc1cc([C@@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C(C)(C)O)no1 ZINC000473194423 JG Annotated Mild CC(C)n1c(=Nc2ccccc2)[nH]c2cnc(Nc3ccc(C(=O)NN4CCN(C)CC4)cc3)nc21 ZINC000473194944 JG Annotated Anodyne CC[C@@H]1C[C@@]2(CC[C@H]1OC)Cc1ccc(C#N)cc1[C@]21NC(=N)N(CC2(F)CCOCC2)C1=O ZINC000473198038 JG Annotated Mild CC[C@@H]1C[C@]2(CC[C@H]1OC)Cc1ccc(C#N)cc1[C@@]21NC(=N)N(CC2(F)CCOCC2)C1=O ZINC000473198043 JG Annotated Mild CC[C@@H]1C[C@@]2(CC[C@H]1OC)Cc1ccc(C#N)cc1[C@@]21NC(=N)N(CC2(F)CCOCC2)C1=O ZINC000473198045 JG Annotated Mild CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC2CCOCC2)C3=O)C[C@H]1C ZINC000473198075 JG Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC2CCOCC2)C3=O)C[C@H]1C ZINC000473198081 JG Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(CC2CCOCC2)C3=O)C[C@H]1C ZINC000473198082 JG Annotated Mild CC[C@@H]1C[C@]2(CC[C@H]1OC)Cc1ccc(C#N)cc1[C@@]21NC(=N)N(CC2CCOCC2)C1=O ZINC000473198105 JG Annotated Mild CC[C@@H]1C[C@@]2(CC[C@H]1OC)Cc1ccc(C#N)cc1[C@@]21NC(=N)N(CC2CCOCC2)C1=O ZINC000473198108 JG Annotated Mild CC[C@@H]1C[C@@]2(CC[C@H]1OC)Cc1ccc(C#N)cc1[C@]21NC(=N)N(CC2CCOCC2)C1=O ZINC000473198111 JG Annotated Mild C[C@H]1C[C@@]2(Cc3ccc(-c4cncnc4)cc3[C@@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198678 JG Annotated Anodyne C[C@H]1C[C@@]2(Cc3ccc(-c4cncnc4)cc3[C@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198681 JG Annotated Anodyne C[C@H]1C[C@]2(Cc3ccc(-c4cncnc4)cc3[C@@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198688 JG Annotated Anodyne C[C@H]1C[C@@]2(CC[C@@H]1O)Cc1ccc(-c3cccnc3)cc1[C@@]21NC(=N)N(Cc2ncccn2)C1=O ZINC000473198994 JG Annotated Anodyne C[C@H]1C[C@]2(CC[C@@H]1O)Cc1ccc(-c3cccnc3)cc1[C@]21NC(=N)N(Cc2ncccn2)C1=O ZINC000473199036 JG Annotated Anodyne C[C@H]1C[C@]2(CC[C@@H]1O)Cc1ccc(-c3cccnc3)cc1[C@@]21NC(=N)N(Cc2ncccn2)C1=O ZINC000473199037 JG Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(CC2(F)CCOCC2)C3=O)C[C@H]1C ZINC000473214462 JG Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC2(F)CCOCC2)C3=O)C[C@H]1C ZINC000473214463 JG Annotated Mild CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC2(F)CCOCC2)C3=O)C[C@H]1C ZINC000473214464 JG Annotated Mild COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(-c5cncnc5)cnc43)cc2OC)cn1 ZINC000473215171 JG Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(N5CCN(C)CC5=O)ccc43)cc2OC)cn1 ZINC000473215180 JG Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(N5CCC(N)CC5)cnc43)cc2OC)cn1 ZINC000473215182 JG Annotated Anodyne COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(-c5ccn(C)n5)cnc43)cc2OC)cn1 ZINC000473215290 JG Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(N5CCN(C)CC5)cnc43)cc2OC)cn1 ZINC000473215310 JG Annotated Anodyne COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(-c5cnn(C)c5)cnc43)cc2OC)cn1 ZINC000473215488 JG Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(N5CCOCC5)cnc43)cc2OC)cn1 ZINC000473215514 JG Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN4CCC[C@H]4C3)cc2F)cn1 ZINC000473219273 JG Annotated Anodyne Cc1cc(CN2C[C@@H]3C[C@H](C2)C3O)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O ZINC000473220580 JG Annotated Anodyne CNS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C#N)C3CC4CC(C3)CC2C4)cc1F ZINC000473227378 JG Annotated Mild Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(CN4CCCC4)n2C2CC3C2)no1 ZINC000473227490 JG Annotated Mild Nc1cnc(-c2ccc(-c3ccccc3CS(=O)(=O)N[C@@H]3CC[C@@H](O)CC3)cc2F)cn1 ZINC000473228777 JG Annotated Anodyne Cc1nc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)(F)F)n2C2CC3C2)no1 ZINC000473229065 JG Annotated Mild Cc1nc([C@@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C(F)(F)F)no1 ZINC000473229083 JG Annotated Mild Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(CC4(C)COC4)n2C2CC3C2)no1 ZINC000473243887 JG Annotated Mild CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)CS[C@H]1c1c[nH]c3ccccc13)CCCC2 ZINC000473245048 JG Annotated Clean CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)CS[C@@H]1c1c[nH]c3ccccc13)CCCC2 ZINC000473245056 JG Annotated Clean C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)COc3cccc4nn[nH]c34)[C@H]12 ZINC000473247823 JG Annotated Mild COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccc(/C(C)=N/O)cc1)[C@@H]23 ZINC000474604787 JG Annotated Mild COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccc(C(C)=O)cc1)[C@@H]23 ZINC000474604846 JG Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)N(C)C)cc1 ZINC000474607998 JG Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)N2CCC2)cc1 ZINC000474608444 JG Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCCN(C)C)cc1 ZINC000474608574 JG Annotated Anodyne COC(=O)CNC(=O)c1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1-c1ccccc1C ZINC000048998689 JG Annotated Anodyne COC(=O)CNC(=O)c1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1-c1ccccc1C ZINC000049018648 JG Annotated Anodyne Nc1nc(=O)n([C@H]2CC[C@H](NS(=O)(=O)c3cccc(-c4ccc(Cl)cc4)c3)C2)cc1F ZINC000049021507 JG Annotated Anodyne CCC(=O)c1c(Cl)n([C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 ZINC000049021512 JG Annotated Anodyne CCCC(=O)OC[C@H]1O[C@H](n2c(Cl)c(C=O)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000049021681 JG Annotated Anodyne CNC(=O)CN1Cc2ccccc2N(C2CCN([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)S1(=O)=O ZINC000049031572 JG Annotated Anodyne Nc1nc(=O)n([C@H]2CC[C@H](NS(=O)(=O)c3cccc(-c4cccc(Cl)c4)c3)C2)cc1F ZINC000049031581 JG Annotated Anodyne COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C1\C(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccccc21 ZINC000049031592 JG Annotated Reactive Nc1nc(=O)n([C@H]2CC[C@H](NS(=O)(=O)c3cccc(-c4ccccc4Cl)c3)C2)cc1F ZINC000049032396 JG Annotated Anodyne O=C(Nn1c(-c2cccc([N+](=O)[O-])c2)nc2c(-c3cccs3)n[nH]c2c1=O)c1cccnc1 ZINC000049033038 JG Annotated Bother O=C(Nn1c(-c2cccc([N+](=O)[O-])c2)nc2c(-c3ccc(F)cc3)n[nH]c2c1=O)c1cccnc1 ZINC000049033574 JG Annotated Bother NC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2C[C@@H](O)COc1ccccc1 ZINC000049033851 JG Annotated Anodyne NC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2C[C@H](O)COc1ccccc1 ZINC000049033853 JG Annotated Anodyne CNC(=O)CN1c2ccccc2N(C2CCN([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)S1(=O)=O ZINC000049034296 JG Annotated Anodyne N#Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3nnn[nH]3)c(F)c2)Cc2ccccc2F)cc1 ZINC000049034801 JG Annotated Mild O=C(Nn1c(-c2cccc([N+](=O)[O-])c2)nc2c(CCc3ccccc3)n[nH]c2c1=O)c1cccnc1 ZINC000049034817 JG Annotated Bother Cc1cnc2c(S(=O)(=O)N3C[C@H](C(=O)N(C)C4CCN(C)CC4)c4ccccc43)cccc2c1 ZINC000049037211 JG Annotated Anodyne Cc1cnc2c(S(=O)(=O)N3C[C@@H](C(=O)N(C)C4CCN(C)CC4)c4ccccc43)cccc2c1 ZINC000049037213 JG Annotated Anodyne Cc1cc([C@H](OC[C@H](O)CN(C)CCO)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049049367 JG Annotated Anodyne Cc1cc([C@@H](OC[C@H](O)CN(C)CCO)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049049371 JG Annotated Anodyne Cc1cc([C@H](OC[C@@H](O)CN(C)CCO)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049049375 JG Annotated Anodyne Cc1cc([C@@H](OC[C@@H](O)CN(C)CCO)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049049379 JG Annotated Anodyne O=C1CCc2ccc(CC3[C@@H]4CC[C@H]3CN(C[C@@H]3COc5c(ccc6c5CC(=O)N6)O3)C4)cc2N1 ZINC000049053081 JG Annotated Anodyne O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCNC2=O)CC1 ZINC000049053673 JG Annotated Anodyne Cc1cc(=O)c2c(O)c(/C=N/CCC/N=C/c3c(O)cc4oc(C)cc(=O)c4c3O)c(O)cc2o1 ZINC000049066553 JG Annotated Mild Cc1cc([C@H](OC[C@H](O)Cn2cncn2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049066609 JG Annotated Anodyne Cc1cc([C@@H](OC[C@H](O)Cn2cncn2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049066611 JG Annotated Anodyne Cc1cc([C@H](OC[C@@H](O)Cn2cncn2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049066613 JG Annotated Anodyne Cc1cc([C@@H](OC[C@@H](O)Cn2cncn2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049066615 JG Annotated Anodyne Cc1cc([C@H](OC[C@H](O)CNc2ncn[nH]2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049066753 JG Annotated Anodyne Cc1cc([C@@H](OC[C@H](O)CNc2ncn[nH]2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049066755 JG Annotated Anodyne Cc1cc([C@H](OC[C@@H](O)CNc2ncn[nH]2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049066757 JG Annotated Anodyne Cc1cc([C@@H](OC[C@@H](O)CNc2ncn[nH]2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049066759 JG Annotated Anodyne CC[C@@]12CC(=O)Nc3cccc(c31)N(Cc1ccc3cc4c(cc3n1)C[C@@]1(C4)C(=O)NC(=O)N1C)C2 ZINC000049066992 JG Annotated Anodyne CC[C@]12CC(=O)Nc3cccc(c31)N(Cc1ccc3cc4c(cc3n1)C[C@@]1(C4)C(=O)NC(=O)N1C)C2 ZINC000049066994 JG Annotated Anodyne CCOc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3O)nc2C(F)(F)F)cc1 ZINC000049068192 JG Annotated Anodyne CN(CCc1ccccc1)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049069180 JG Annotated Anodyne O=C(c1cc(Cl)ccc1-n1nccn1)N1C[C@@H]2C[C@H](C1)N(c1ncc3cc(F)ccc3n1)C2 ZINC000049069700 JG Annotated Anodyne COC(=O)n1[nH]c(=O)c(-c2cc(OC)c(OC)c(OC)c2)c1-c1ccc(OC)c(OC(C)=O)c1 ZINC000049071824 JG Annotated Anodyne COc1c(/C=N/CC/N=C/c2c(O)cc3oc(C)cc(=O)c3c2OC)c(O)cc2oc(C)cc(=O)c12 ZINC000049072379 JG Annotated Mild O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCCCC2=O)CC1 ZINC000049073506 JG Annotated Anodyne N=c1oc2c(O)cccc2cc1C(=O)NCCCCCCNC(=O)c1cc2cccc(O)c2oc1=N ZINC000049088238 JG Annotated Anodyne C[C@@H]1OC(=O)c2c(O)cc(NCc3ccccc3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C ZINC000049088301 JG Annotated Mild Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5ccc(OCCO)cc5)[nH]c34)CC2)no1 ZINC000049089364 JG Annotated Anodyne N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1c(O)ccc2ccccc12 ZINC000049089599 JG Annotated Reactive N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1c(O)ccc2ccccc12 ZINC000049089600 JG Annotated Reactive CC(C)CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c2ccccc12)C(=O)NCC(C)C ZINC000049111136 JG Annotated Anodyne CC(C)CNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)c2ccccc12)C(=O)NCC(C)C ZINC000049111138 JG Annotated Anodyne CS(=O)(=O)Nc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)ccc1F ZINC000049111954 JG Annotated Anodyne Cc1cc(C)c2c(N/N=C(/C#N)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n[nH]c2n1 ZINC000049112076 JG Annotated Mild CCOCCn1nc(CC)c2nc(N(C)C3CCN(C)CC3)nc(Nc3cc(C)ccn3)c21 ZINC000049113310 JG Annotated Anodyne CNC(=O)c1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3[nH]c(C(=O)OC)cc43)cc2c1 ZINC000049114523 JG Annotated Reactive COc1ccc(-c2nc3[nH]cc(Br)c(N4CCN(Cc5nccn5C)CC4)c-3n2)cc1 ZINC000049115983 JG Annotated Anodyne CCOc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CCC3)ccc1OC ZINC000049124672 JG Annotated Reactive CCOc1cc([C@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CCC3)ccc1OC ZINC000049124676 JG Annotated Reactive COCCNC[C@@H](O)CO[C@H](c1ccncc1)c1cc(C)nc2ccc(Br)cc12 ZINC000049126330 JG Annotated Anodyne COCCNC[C@@H](O)CO[C@@H](c1ccncc1)c1cc(C)nc2ccc(Br)cc12 ZINC000049126334 JG Annotated Anodyne COCCNC[C@H](O)CO[C@H](c1ccncc1)c1cc(C)nc2ccc(Br)cc12 ZINC000049126338 JG Annotated Anodyne COCCNC[C@H](O)CO[C@@H](c1ccncc1)c1cc(C)nc2ccc(Br)cc12 ZINC000049126342 JG Annotated Anodyne C/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@@H]1[C@](C)(O)C(O)=C(C)C(=O)[C@@]12C(=O)CC/C=C/C ZINC000049538476 JG Annotated Mild COc1cccc(C/N=C(\O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)c1 ZINC000049694018 JG Annotated Mild COc1cccc(C/N=C(\O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)c1 ZINC000049694019 JG Annotated Mild CCN(CC)c1ccc2oc(=O)c(C(=O)NCc3cn(CCC[P@](=O)(F)OC)nn3)cc2c1 ZINC000049761823 JG Annotated Reactive CCN(CC)c1ccc2oc(=O)c(C(=O)NCc3cn(CCC[P@@](=O)(F)OC)nn3)cc2c1 ZINC000049761824 JG Annotated Reactive CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000049767032 JG Annotated Clean OC[C@@H]1Oc2ccc([C@H]3OC[C@@H]4[C@@H](c5ccc(O)c(O)c5)OC[C@H]34)cc2O[C@H]1c1ccc(O)c(O)c1 ZINC000049778083 JG Annotated Clean C=C1C[C@@H](O)[C@@H]2O[C@@]2(C)CC[C@@H]2C([C@@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000049780263 JG Annotated Mild C[C@]12CC[C@H](OS(=O)(=O)O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O ZINC000049781460 JG Annotated Anodyne C/C=C/C=C/C(=O)C1=C(O)[C@@]2(C)[C@H]3C(C(=O)CC/C=C/C)=C(O)[C@@]4(C)[C@@H]1[C@]1(C)O[C@@]4(O)[C@@]3(C)O[C@@]12O ZINC000049784232 JG Annotated Mild COc1cc2oc3c(S(=O)(=O)N4CCCCC4)c(OC)cc(OC)c3c(=O)c2cc1OC ZINC000049784733 JG Annotated Bother COc1cc(C)c(S(=O)(=O)N2C[C@H](C(=O)N(C)C3CCN(C)CC3)c3ccccc32)c(C)c1C ZINC000049785408 JG Annotated Anodyne COc1cc(C)c(S(=O)(=O)N2C[C@@H](C(=O)N(C)C3CCN(C)CC3)c3ccccc32)c(C)c1C ZINC000049785409 JG Annotated Anodyne CC1=CCC[C@H]2[C@@]1(C)[C@@H](O)[C@H](OC(=O)c1cccnc1)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 ZINC000049785593 JG Annotated Anodyne CC1=C(C)[C@H]([C@H]2O[C@@]3(O)C[C@@H]4c5c(O)cccc5[C@H](O)C[C@H]4[C@@H]4CC[C@@](O)([C@@H]2C)[C@]43C)OC1=O ZINC000049793545 JG Annotated Anodyne CC1=C(C)C(=O)O[C@]2(C1)O[C@@]1(O)C[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@@H]3CC[C@@](O)([C@@H]2C)[C@]31C ZINC000049793659 JG Annotated Mild Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3ccc(Br)cc3)c(=O)c12 ZINC000049802817 JG Annotated Reactive COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc4ncccc4c3)C[C@H]1[C@H](S(=O)(=O)O)N2 ZINC000049803268 JG Annotated Anodyne Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3ccccc3C(F)(F)F)c(=O)c12 ZINC000049803508 JG Annotated Reactive Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3cccc(C(F)(F)F)c3)c(=O)c12 ZINC000049803509 JG Annotated Reactive Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3ccccc3Br)c(=O)c12 ZINC000049803673 JG Annotated Reactive COC(=O)C1=C(C)N(c2ccc(C)cc2)C(C)=C(C(=O)OC)C1[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC ZINC000049803774 JG Annotated Anodyne Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3ccc(C(F)(F)F)cc3)c(=O)c12 ZINC000049807410 JG Annotated Reactive Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3cccc(Br)c3)c(=O)c12 ZINC000049807651 JG Annotated Reactive COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(C(=O)N4CCN(C)CC4)cc3)C[C@H]1C=N2 ZINC000049808106 JG Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(C(=O)NCCCN(C)C)cc3)C[C@H]1C=N2 ZINC000049808525 JG Annotated Anodyne C/C=C/C=C/C(=O)C1=C[C@@]2(C)[C@H]3C(C(=O)/C=C/C=C/C)=C(O)C(C)=C(O)[C@@]3(C)O[C@@]2(O)[C@@](C)(O)C1=O ZINC000049850875 JG Annotated Mild COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(NC(C)=O)=CC3=O)C2=O ZINC000049877999 JG Annotated Mild CCCCCCCC(=O)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000049881889 JG Annotated Mild CCC[C@@H](OC(C)=O)C1=C(Br)[C@](OC)(C(Br)Br)OC1=O ZINC000049881911 JG Annotated Reactive CCC[C@@H](OC(C)=O)C1=C(Br)[C@@](OC)(C(Br)Br)OC1=O ZINC000049881943 JG Annotated Reactive CCCC(=O)c1c(O)c(C[C@H]2C(=O)[C@@H](C(=O)CCC)C(=O)C(C)(C)C2=O)c(O)c(C)c1OC ZINC000049942234 JG Annotated Anodyne CC[C@@H](NC(=O)c1ccc(C(=N)N2CCCC2)cc1F)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 ZINC000000579186 JG Annotated Anodyne CC(=O)N1CCC[C@H](C(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000000592741 JG Annotated Anodyne CC1(C)CC(Nc2nc(NC3CC(C)(C)NC(C)(C)C3)nc(N3CCOCC3)n2)CC(C)(C)N1 ZINC000000754403 JG Annotated Anodyne O=c1c2ccccc2nc(SCc2cc(=O)n3ccccc3n2)n1-c1ccc2c(c1)OCO2 ZINC000000755484 JG Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C1CCCCC1)[C@@H](C(C)C)C(=O)N2 ZINC000000755986 JG Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C1CCCCC1)[C@H](C(C)C)C(=O)N2 ZINC000000755987 JG Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1)[C@@H](C(C)C)C(=O)N2 ZINC000000755988 JG Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1)[C@H](C(C)C)C(=O)N2 ZINC000000755989 JG Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000756139 JG Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000758283 JG Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000758284 JG Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(OC)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000000758304 JG Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(OC)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000000758305 JG Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCc1ccc(OC)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000000758306 JG Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCc1ccc(OC)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000000758307 JG Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)COc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758590 JG Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)COc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758591 JG Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758595 JG Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758596 JG Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000758673 JG Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000758674 JG Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000765514 JG Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000765515 JG Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000765516 JG Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000765517 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)C1 ZINC000000767097 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000000767104 JG Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CCOCC2)cc1OC ZINC000000767150 JG Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CCOCC2)cc1OC ZINC000000767151 JG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000000767164 JG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000000767632 JG Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000767694 JG Annotated Bother Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000767696 JG Annotated Bother O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000767710 JG Annotated Bother O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000767945 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000000768012 JG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000768025 JG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000768026 JG Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000768028 JG Annotated Anodyne COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000000768034 JG Annotated Bother CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000000768168 JG Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000000768169 JG Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000000768170 JG Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000000768171 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(C)=O)c1cc(C(N)=O)ccc1O2 ZINC000000768172 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(C)=O)c1cc(C(N)=O)ccc1O2 ZINC000000768173 JG Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000000768220 JG Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000000768221 JG Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000768242 JG Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000768243 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000000768357 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000000768419 JG Annotated Anodyne O=C(NCCN1CCOCC1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000768594 JG Annotated Bother O=C(NCCN1CCOCC1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000768596 JG Annotated Bother COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1OC ZINC000000768690 JG Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1OC ZINC000000768691 JG Annotated Anodyne COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000000768721 JG Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000000768722 JG Annotated Bother CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000768882 JG Annotated Bother CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000768884 JG Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000000768902 JG Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000000768904 JG Annotated Bother CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000769380 JG Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000769381 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000769436 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000769438 JG Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000769457 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000769458 JG Annotated Bother COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000769642 JG Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000769644 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(F)cc2Cl)C1 ZINC000000769678 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000000769714 JG Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000000769716 JG Annotated Bother CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000000769720 JG Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000000769762 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000000769764 JG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000000770100 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000000770401 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NC[C@@H](O)CC ZINC000000770402 JG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000770411 JG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000770412 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCN1CCOCC1 ZINC000000770463 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCN1CCOCC1 ZINC000000770465 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000000770808 JG Annotated Bother CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c1 ZINC000000770899 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCC(C)(C)CO ZINC000000770970 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000770971 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCC(C)(C)CO ZINC000000770972 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000770973 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000000771538 JG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000000771603 JG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000000771787 JG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000000771983 JG Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000772000 JG Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000772006 JG Annotated Bother O=C(NCCN1CCOCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000772071 JG Annotated Bother O=C(NCCN1CCOCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000772073 JG Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000772103 JG Annotated Bother COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1OC ZINC000000772165 JG Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1OC ZINC000000772166 JG Annotated Anodyne COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000000772196 JG Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000000772197 JG Annotated Bother CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000772355 JG Annotated Bother CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000772357 JG Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000000772375 JG Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000000772377 JG Annotated Bother COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 ZINC000000773000 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000773043 JG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000773045 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000000773058 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000000773068 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000000773150 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCN1CCOCC1 ZINC000000773158 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCN1CCOCC1 ZINC000000773160 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCC(C)(C)CO ZINC000000773189 JG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCC(C)(C)CO ZINC000000773191 JG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 ZINC000000773300 JG Annotated Anodyne O=C(NC[C@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000000773816 JG Annotated Anodyne O=C(NC[C@@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000000773817 JG Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@H](O)CO)cc1OC ZINC000000773838 JG Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@@H](O)CO)cc1OC ZINC000000773839 JG Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)NC[C@H](O)CO ZINC000000773843 JG Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H](O)CO ZINC000000773844 JG Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774082 JG Annotated Bother CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774083 JG Annotated Bother CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000774091 JG Annotated Bother CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000774092 JG Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCC(C)(C)CO)cc1 ZINC000000774226 JG Annotated Bother COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NC[C@H](O)CO)cc1 ZINC000000774420 JG Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NC[C@@H](O)CO)cc1 ZINC000000774421 JG Annotated Anodyne O=C(NC[C@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000774918 JG Annotated Bother O=C(NC[C@@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000774919 JG Annotated Bother O=C(NC[C@H](O)CO)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000000775402 JG Annotated Anodyne O=C(NC[C@@H](O)CO)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000000775403 JG Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NC[C@H](O)CO)cc1OC ZINC000000775425 JG Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NC[C@@H](O)CO)cc1OC ZINC000000775426 JG Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NC[C@H](O)CO ZINC000000775430 JG Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NC[C@@H](O)CO ZINC000000775431 JG Annotated Anodyne COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000000776663 JG Annotated Anodyne COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000000776664 JG Annotated Anodyne COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000000776665 JG Annotated Anodyne COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000000776666 JG Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000777650 JG Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000777651 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000000777696 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000000777697 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000000777706 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000000777707 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000000777708 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000000777709 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)c3ccco3)C2)c1 ZINC000000785202 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)c3ccco3)C2)c1 ZINC000000785203 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)c3ccco3)C2)c1 ZINC000000785204 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)c3ccco3)C2)c1 ZINC000000785205 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)c3ccco3)C2)c1 ZINC000000785210 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)c3ccco3)C2)c1 ZINC000000785211 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)c3ccco3)C2)c1 ZINC000000785212 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)c3ccco3)C2)c1 ZINC000000785213 JG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000000785437 JG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000000785439 JG Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000786074 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000000786165 JG Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@@H](C)O)cc1OC ZINC000000786172 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NC[C@@H](C)O)c1 ZINC000000786216 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@H](C)O ZINC000000786224 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000000786229 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)c3cnccn3)C2)c1 ZINC000000786276 JG Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](CC(C)C)N([C@H](C(=O)NCCN1CCOCC1)C1CCCCC1)C2=O ZINC000000786583 JG Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CC(C)C)N([C@H](C(=O)NCCN1CCOCC1)C1CCCCC1)C2=O ZINC000000786587 JG Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](CC(C)C)N([C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1)C2=O ZINC000000786589 JG Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CC(C)C)N([C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1)C2=O ZINC000000786591 JG Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000786747 JG Annotated Anodyne C[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000786885 JG Annotated Anodyne C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000786887 JG Annotated Anodyne C[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000786889 JG Annotated Anodyne C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000786890 JG Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000786898 JG Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000786899 JG Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000786901 JG Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000786902 JG Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000787000 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@H]1CCCO1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787584 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@H]1CCCO1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787586 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@@H]1CCCO1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787588 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@@H]1CCCO1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787590 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@H]1CCCO1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000000787856 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@H]1CCCO1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000000787857 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@@H]1CCCO1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000000787859 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@@H]1CCCO1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000000787860 JG Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000000788111 JG Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000000788113 JG Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000000788115 JG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000789159 JG Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000790267 JG Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)CO)cc1OC ZINC000000790548 JG Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)cc1OC ZINC000000790686 JG Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)cc1OC ZINC000000790688 JG Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)cc1OC ZINC000000790689 JG Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)cc1OC ZINC000000790691 JG Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)c1OC ZINC000000790967 JG Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)c1OC ZINC000000790969 JG Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)c1OC ZINC000000790970 JG Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)c1OC ZINC000000790971 JG Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)c1 ZINC000000790981 JG Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)c1 ZINC000000790982 JG Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)c1 ZINC000000790983 JG Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)c1 ZINC000000790984 JG Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)cc(OC)c1 ZINC000000790994 JG Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)cc(OC)c1 ZINC000000790995 JG Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)cc(OC)c1 ZINC000000790996 JG Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)cc(OC)c1 ZINC000000790997 JG Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)cc1 ZINC000000791007 JG Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)cc1 ZINC000000791008 JG Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)cc1 ZINC000000791009 JG Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)cc1 ZINC000000791010 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c1 ZINC000000791238 JG Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000000791319 JG Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000000791322 JG Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000000791324 JG Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000000791326 JG Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000000791395 JG Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000000791397 JG Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000000791399 JG Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000000791401 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000000791423 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)CO)c1 ZINC000000791524 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)CO ZINC000000791529 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000000791577 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000000791779 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)[C@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000000792301 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3OC)N(C(=O)c3ccco3)C2)c1 ZINC000000792400 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3OC)N(C(=O)c3ccco3)C2)c1 ZINC000000792402 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3OC)N(C(=O)c3ccco3)C2)c1 ZINC000000792403 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3OC)N(C(=O)c3ccco3)C2)c1 ZINC000000792405 JG Annotated Anodyne Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ccccn4)CC3)c(C(F)(F)F)c21 ZINC000000836912 JG Annotated Anodyne N[C@@H](CS)C(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000000839382 JG Annotated Mild Cc1nc(-c2ccc(C#N)cc2)sc1C(=O)N[C@H](C)[C@](O)(Cn1cncn1)c1ccccc1F ZINC000000841014 JG Annotated Mild C[n+]1c2ccccc2c(Nc2ccc(NS(=O)(=O)CCCCNC(=N)N)cc2)c2ccc(N)cc21 ZINC000005007919 JG Annotated Clean C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@H]([C@H](C)O)[C@H](O)[C@@H]3O)c21 ZINC000005464330 JG Annotated Bother CC(C)N[S@@+](C)(O)=C1C=CC(=Nc2ncc(C(F)(F)F)c(=N[C@@H]3CCC[C@H]3N(C)C)[nH]2)C=C1 ZINC000514290509 JG Annotated Mild CC(C)N[S@+](C)(O)=C1C=CC(=Nc2ncc(C(F)(F)F)c(=N[C@@H]3CCC[C@H]3N(C)C)[nH]2)C=C1 ZINC000514290510 JG Annotated Mild CN=[S@](C)(O)=C1C=CC(=Nc2ncc(C(F)(F)F)c(=N[C@@H]3CCC[C@H]3N(C)C)[nH]2)C=C1 ZINC000514290515 JG Annotated Mild CN=[S@@](C)(O)=C1C=CC(=Nc2ncc(C(F)(F)F)c(=N[C@@H]3CCC[C@H]3N(C)C)[nH]2)C=C1 ZINC000514290516 JG Annotated Mild O=C([C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1c(F)cccc1F)N1CCOCC1 ZINC000052596185 JG Annotated Anodyne COc1ccc2nccc([C@@H](O)CN3CCC(NCc4ccc5c(c4C)OCCO5)CC3)c2n1 ZINC000052996373 JG Annotated Anodyne CCOC(=O)CNP(=O)(COc1cc(C)c(C)c2c1-c1ncsc1C2)NCC(=O)OCC ZINC000053242890 JG Annotated Anodyne O=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1ccn(S(=O)(=O)c3ccccc3)c1-2 ZINC000053243851 JG Annotated Anodyne C#CCN1C(=O)[C@@]2(C(C#N)=C(c3c[nH]c4ccccc34)OC(N)=C2C(=O)OCC)c2ccccc21 ZINC000053244001 JG Annotated Reactive CS(=O)(=O)c1ccc(OC2CCCC2)c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000053244020 JG Annotated Mild CCCN1CCN(c2nc3ccc(/N=C(\C)N(C)C)cc3nc2N2CCN(CCC)CC2)CC1 ZINC000053257464 JG Annotated Mild N#CC1=C(NCC(=O)N2CCCCC2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 ZINC000053276587 JG Annotated Reactive N#CC1=C(NCC(=O)N2CCCCC2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 ZINC000053276588 JG Annotated Reactive N#CC1=C(NCC(=O)N2CCCCC2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 ZINC000053276589 JG Annotated Reactive N#CC1=C(NCC(=O)N2CCCCC2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 ZINC000053276590 JG Annotated Reactive CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)sc12 ZINC000053276594 JG Annotated Anodyne CN[C@H]1C[C@@H](c2c(O)c3c(c4c(O)cc(C)cc24)C(=O)c2cccc(O)c2C3=O)O[C@@H](C)[C@H]1CO ZINC000053297519 JG Annotated Clean in-vitro CN[C@H]1C[C@H](c2c(O)c3c(c4c(O)cc(C)cc24)C(=O)c2cccc(O)c2C3=O)O[C@@H](C)[C@H]1CO ZINC000053297523 JG Annotated Clean in-vitro CN[C@@H]1C[C@@H](c2c(O)c3c(c4c(O)cc(C)cc24)C(=O)c2cccc(O)c2C3=O)O[C@@H](C)[C@H]1CO ZINC000053297526 JG Annotated Clean in-vitro CN[C@@H]1C[C@H](c2c(O)c3c(c4c(O)cc(C)cc24)C(=O)c2cccc(O)c2C3=O)O[C@@H](C)[C@H]1CO ZINC000053297529 JG Annotated Clean in-vitro CC(C)COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000053298350 JG Annotated Mild COC(=O)CCNC(=O)c1cc(-c2ccc(F)cc2F)cc(I)c1O ZINC000053683312 JG Annotated Anodyne in-vivo CCOc1cc(C[C@H]2SC(=S)N(CC(=O)O)C2=O)c(Br)c(Br)c1O ZINC000053683767 JG Annotated Clean in-vivo CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=NC(=O)c1ccccc1OC ZINC000054360534 JG Annotated Anodyne C=CC[C@]12C[C@@H](C(=O)OC)N(C(=O)OC)[C@H]1N(S(=O)(=O)c1ccccc1)c1ccccc12 ZINC000005536820 JG Annotated Mild CC(C)(C)OC(=O)[C@H]1C(=O)NC(=O)C[C@H]1[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000005539239 JG Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C(=O)NC(=O)C[C@H]1[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000005539241 JG Annotated Anodyne CC(C)(C)OC(=O)[C@H]1C(=O)NC(=O)C[C@@H]1[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000005539246 JG Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C(=O)NC(=O)C[C@@H]1[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000005539251 JG Annotated Anodyne CC(C)(C)c1cc([C@@H]2COC(=O)COCC(=O)OCCOCCOCCO2)cc(C(C)(C)C)c1O ZINC000005542244 JG Annotated Anodyne Cn1nc(-c2ccc(S(=O)(=O)/N=C(/NN)Nc3ccc(Cl)cc3)s2)cc1C(F)(F)F ZINC000005579353 JG Annotated Mild N/C(=N/S(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)Nc1ccc(Cl)cc1 ZINC000005579366 JG Annotated Mild COc1ccccc1/N=C1\SCCN1C(=S)Nc1ccc(S(=O)(=O)/N=C/N(C)C)cc1 ZINC000005582743 JG Annotated Mild O=C(COc1ccccc1)N(C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000005596764 JG Annotated Anodyne COc1c(I)c(OC)c2c(c1I)O[C@@H]1OCC[C@H]21 ZINC000005722824 JG Annotated Anodyne CCOC(=O)[C@@]1(C)C=C2O[C@@H]3OC4(CCCCC4)O[C@@H]3C2=C2C(O)=CC=C(O)[C@]21C(=O)OC ZINC000005723084 JG Annotated Anodyne COc1ccc(/C=c2/s/c(=C(\C#N)c3nc4ccccc4[nH]3)n(-c3ccccc3)c2=O)cc1 ZINC000005724310 JG Annotated Mild COc1c2ccc(c1OC)Oc1cc(ccc1O)/C=C/C(=O)NCCCNCCCCNC(=O)/C=C/2 ZINC000005765701 JG Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)[C@@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@@]312 ZINC000005801303 JG Annotated Mild CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)[C@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@@]312 ZINC000005801305 JG Annotated Mild CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)[C@@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@]312 ZINC000005801306 JG Annotated Mild CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)[C@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@]312 ZINC000005801308 JG Annotated Mild N/N=C(/C(=O)Nc1cccc(Cl)c1)[C@@H](C(=O)c1ccc(O)cc1O)[C@H]1OC(=O)c2ccccc21 ZINC000005809690 JG Annotated Mild O=C(N/N=C(\C1=Nc2ccc(Cl)cc2N[C@@H]1O)[C@H](O)/C=C/c1ccccc1)c1ccncc1 ZINC000005809785 JG Annotated Reactive COc1ccc(/C(=N\NC(=S)NN)[C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)Oc3ccccc32)cc1 ZINC000005811351 JG Annotated Mild COc1ccc(/C(=N\NC(=S)NN)[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)Oc3ccccc32)cc1 ZINC000005811353 JG Annotated Mild CC1=CC(C)(C)[C@H]2O[C@@]3(O)C[C@@]4(C)[C@H](c5ccoc5)O[C@]5(C(C)C)C[C@H]4[C@@]4(C3)O[C@@]1(O)[C@@]2(O)[C@H]4O5 ZINC000005822905 JG Annotated Anodyne O=C1[C@@H](Cl)[C@@H](c2cc(Br)cc(Br)c2O)N1n1cnc2ccccc2c1=O ZINC000005838665 JG Annotated Reactive O=C1[C@@H](Cl)[C@H](c2cc(Br)cc(Br)c2O)N1n1cnc2ccccc2c1=O ZINC000005838669 JG Annotated Reactive CN1C(=O)[C@H]2c3c([nH]c4ccccc34)[C@@H]3[C@@H](c4ccccc4N3S(=O)(=O)C(F)(F)F)[C@H]2C1=O ZINC000005848215 JG Annotated Anodyne S=C(N/N=C(C(=N/NC(=S)N1CCCCC1)\c1ccccn1)/c1ccccn1)N1CCCCC1 ZINC000005850290 JG Annotated Mild COc1cc([C@@H]2SC(N)=Nc3c2c(C)nn3C(=O)c2ccccc2O)cc(OC)c1OC ZINC000005852684 JG Annotated Anodyne C/C=C\[C@@H](CC(=O)NCC[C@@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21)CC(=O)OC ZINC000005923610 JG Annotated Anodyne C/C=C\[C@H](CC(=O)NCC[C@@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21)CC(=O)OC ZINC000005923611 JG Annotated Anodyne C/C=C\[C@@H](CC(=O)NCC[C@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21)CC(=O)OC ZINC000005923617 JG Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C)CCC/C(C)=C/CC[C@@](C)(O)C(=O)C[C@@H]2[C@H]1OC(=O)[C@@]2(O)C[C@@H]1CCCO1 ZINC000005924210 JG Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C)CCC/C(C)=C/CC[C@@](C)(O)C(=O)C[C@@H]2[C@H]1OC(=O)[C@@]2(O)C[C@H]1CCCO1 ZINC000005924211 JG Annotated Anodyne CC(C)N1CCN(C(=O)c2cnn(-c3nccc(-c4ccc5c(c4)OCO5)n3)c2-c2ccco2)CC1 ZINC000055119247 JG Annotated Anodyne N#Cc1c(-c2ccc(N3CCOCC3)cc2)c(C#N)c2n(Cc3ccccc3)c(S)nn2c1=N ZINC000055665031 JG Annotated Anodyne CCOc1cc([C@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)ccc1OC ZINC000055805351 JG Annotated Reactive CCOc1cc([C@@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)ccc1OC ZINC000055805352 JG Annotated Reactive O=C(O)C(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1 ZINC000584904990 JG Annotated Anodyne CC(C)[C@@H]1c2nn(-c3cccc(S(C)(=O)=O)c3)cc2CN1c1ncc(CO)c(C(F)(F)F)n1 ZINC000584905095 JG Annotated Anodyne Cc1ncc(C(=O)Nc2cn3ccnc3c(CN3CCN(C(=O)C4CCCC4)[C@@H](C)C3)c2C)cn1 ZINC000584905655 JG Annotated Anodyne CC(C)C[C@@H]1NC(=O)O[C@H](c2cccc(Cl)c2)CCCCCNC(=O)CC[C@@H](CO)NC1=O ZINC000584905709 JG Annotated Anodyne C#CCOCCOCCOCCOCCOc1ccc(-c2ccc(OS(=O)(=O)F)cc2)cc1 ZINC000584905721 JG Annotated Unstable CCN(C(=O)CO)[C@H]1CN(C(=NC#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)cc1 ZINC000584905771 JG Annotated Mild O=C(NNc1nc(N2CCc3ccccc3C2)nc(N2CCc3ccccc3C2)n1)c1ccncc1 ZINC000058502094 JG Annotated Reactive CCCOC(=O)N1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000058506159 JG Annotated Mild C[C@]12CN(c3cc(Cl)ncn3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000058512299 JG Annotated Mild COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C=C(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](N)C[C@H](C)O1 ZINC000058513069 JG Annotated Anodyne CN1CCN(CC(=O)N[C@@H]2CC3(N(C)C)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000058537917 JG Annotated Anodyne COc1ccc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)c(N[C@H](C)C(=O)O)c1 ZINC000058538509 JG Annotated Anodyne CCOC(=O)c1c(CS(=O)(=O)c2ccccc2)n(C)c2ccc(CN3CCCNCC3)cc12 ZINC000058541485 JG Annotated Anodyne C[C@]12C[C@]34C=CC(=O)[C@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@H]3[C@H](O1)[C@@H](Cl)[C@H]2C4 ZINC000058541558 JG Annotated Reactive COc1ccc(-c2cc(-c3c(OC)cc(OC)c([C@@H]4CCN(C)[C@H]4CO)c3O)n[nH]2)c(OC)c1 ZINC000058554829 JG Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@H]4O[C@H](C[C@@](C)(O)[C@H](OC)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000058559889 JG Annotated Anodyne N=C(NCCCN(CCNC(=N)NC1CCCCC1)C(=N)NC1CCCCC1)NC1CCCCC1 ZINC000058563719 JG Annotated Anodyne CC(C)CN(c1nc(C#N)ncc1Cl)N(CCCN1CCN(C)CC1)C(=O)Cc1ccccc1 ZINC000058564061 JG Annotated Reactive CC(C)CN(NC(=O)c1cccc(-c2cncnc2)c1)c1nc(C#N)ncc1Br ZINC000058569173 JG Annotated Reactive CCCN1CCN(Cc2ccc(CC(=O)NN(CC(C)C)c3nc(C#N)ncc3Cl)cc2)CC1 ZINC000058569180 JG Annotated Reactive CN1CCN(c2cc(N(C)C)cn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5)s4)nc23)C1=O ZINC000058575474 JG Annotated Anodyne CNC(=O)[C@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccncn3)c2)o1)C1CCCCC1 ZINC000058575955 JG Annotated Anodyne CC(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1 ZINC000058576052 JG Annotated Anodyne CCOc1ncnc2c1ncn2[C@H]1O[C@H](COC(=O)c2ccccc2)[C@](C)(OC(C)=O)[C@@]1(C)F ZINC000058580993 JG Annotated Anodyne N#CCN1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1 ZINC000058582649 JG Annotated Mild CC(=O)c1cc(N2CCOCC2)cn2c(=O)c(O)c(-c3ncc(Cc4ccc(F)cc4)s3)nc12 ZINC000058583548 JG Annotated Anodyne CS(=O)(=O)c1ccc(CCCC(=O)N2CCc3c(Cl)c(O)c(O)c(Cl)c3C2)nc1 ZINC000058583797 JG Annotated Clean c1ccc(Cn2nnnc2[C@@H](c2ccc(Cn3cncn3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058583869 JG Annotated Anodyne COc1cc([C@H](O)[C@@H]2CNC(=N)N([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000058584015 JG Annotated Anodyne CC/N=C1\N/C(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)C(=O)N1[C@H](CO)c1ccc(F)cc1 ZINC000058584077 JG Annotated Mild COc1cc(N2CCOCC2)cn2c(=O)c(O)c(-c3ncc(Cc4ccc(F)cc4)s3)nc12 ZINC000058590602 JG Annotated Anodyne CNC(=O)[C@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccn(C)n3)c2)o1)C1CCCCC1 ZINC000058590837 JG Annotated Anodyne CCOc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@](C)(OC(C)=O)[C@@]1(C)F ZINC000058590902 JG Annotated Anodyne C[C@H](O)c1cc(N2CCOCC2)cn2c(=O)c(O)c(-c3ncc(Cc4ccc(F)cc4)s3)nc12 ZINC000058591372 JG Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000058594263 JG Annotated Anodyne CCCN[C@@H]1COCCN1c1nc(N2CCc3ccccc3C2)nc(N2CCc3ccccc3C2)n1 ZINC000058602952 JG Annotated Anodyne CN(C)CCN(Cc1ccccc1)c1nnc(N(CCN(C)C)c2ccc(Cl)cc2)nn1 ZINC000058608609 JG Annotated Anodyne O=C1CCCN1c1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058609152 JG Annotated Anodyne COc1cc(N2CCN(C)CC2)ccc1/N=C1/N=C[C@H](Cl)C(Nc2cccc3c2C(=O)N(C)C3)=N1 ZINC000058626793 JG Annotated Reactive CC(C)Oc1ccc([C@@H](CC(=O)O)NC(=O)CCC(=O)Nc2ccc3c(c2)CNCC3)cc1 ZINC000058631922 JG Annotated Anodyne CN1CCC[C@H](NC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000058640594 JG Annotated Anodyne O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1sc2c(c1C(=O)N[C@@H]1CCNC1)CCCC2 ZINC000058660649 JG Annotated Anodyne N=C(N)COc1cccc(CN2C[C@@H]3[C@H](NC(=O)c4ccc(Cl)s4)C=CC[C@H]3C2=O)c1 ZINC000058685557 JG Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586888033 JG Annotated Bother O=C(O)C[C@@H](O)Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586888048 JG Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@@H](O)c3cccc(O)c3)nc12 ZINC000586893257 JG Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@H](O)c3cccc(O)c3)nc12 ZINC000586893268 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4CC[C@H](O)CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586896153 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](O)CC(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586900237 JG Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 ZINC000586901578 JG Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586906919 JG Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586906922 JG Annotated Anodyne O=S(=O)(c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1)N1CCOCC1 ZINC000586909881 JG Annotated Mild O=S(=O)(c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1)N1CCOCC1 ZINC000586909891 JG Annotated Mild O=C(c1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586914565 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C4CC5(COC5)C4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586915375 JG Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C3CC4(COC4)C3)nc1-2 ZINC000586917044 JG Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c(=O)oc2c1C ZINC000586918062 JG Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)c(=O)oc2c1C ZINC000586918887 JG Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)c(=O)oc2c1C ZINC000586919287 JG Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586919667 JG Annotated Bother CSc1sc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919886 JG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CS(=O)(=O)c3ccc(OC)cc3)nc2c1 ZINC000586919904 JG Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586920018 JG Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586920463 JG Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586920479 JG Annotated Anodyne O=S(=O)(CCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920831 JG Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586921053 JG Annotated Anodyne O=S(=O)(CCc1nc2cc(I)cnc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921138 JG Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586921442 JG Annotated Bother Cn1nccc1CS(=O)(=O)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586921816 JG Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586921856 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 ZINC000586921982 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586922061 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 ZINC000586922573 JG Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CS(=O)(=O)Cc5ccnn5C)[nH]c4c3)o2)cc1 ZINC000586922623 JG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(I)cnc4[nH]3)c2)o1 ZINC000586922840 JG Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cccc(S(=O)(=O)Cc4nnc(CC)o4)c3)[nH]c2c1 ZINC000586923217 JG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c2)o1 ZINC000586923361 JG Annotated Anodyne COC(=O)c1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586923375 JG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)o1 ZINC000586923519 JG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)o1 ZINC000586923767 JG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)o1 ZINC000586923870 JG Annotated Anodyne COc1cc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924390 JG Annotated Unstable CS(=O)(=O)c1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc([N+](=O)[O-])c1Cl ZINC000586924562 JG Annotated Bother COc1cc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924696 JG Annotated Unstable COc1cc(Cc2nc3c(F)cnc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924853 JG Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586925086 JG Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2c1 ZINC000586925176 JG Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(I)cnc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925288 JG Annotated Bother CS(=O)(=O)c1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925398 JG Annotated Bother COc1cc(Cc2nc3cc(I)cnc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925464 JG Annotated Unstable COc1cc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc(S(=O)(=O)Cl)c1OC ZINC000586925931 JG Annotated Unstable COc1cc(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925966 JG Annotated Unstable N=c1[nH]c2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc-2c(Cl)[nH]1 ZINC000586925993 JG Annotated Unstable NS(=O)(=O)c1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586926023 JG Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3c(O)nc(S)nc3[nH]2)CC1 ZINC000586926637 JG Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000586927331 JG Annotated Unstable N#Cc1nc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2nc1C#N ZINC000586927560 JG Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000586927731 JG Annotated Bother COC(=O)c1cc(Br)c2[nH]c(CCC(=O)c3ccc(S(C)(=O)=O)cc3)nc2c1 ZINC000586927749 JG Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586927927 JG Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586928291 JG Annotated Unstable CN(Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928435 JG Annotated Anodyne CN(Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928567 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 ZINC000586928739 JG Annotated Anodyne CN(Cc1nc2cc(Br)c(Br)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928832 JG Annotated Anodyne CN(Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928850 JG Annotated Anodyne CN(Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928896 JG Annotated Anodyne CN(Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928962 JG Annotated Anodyne CN(Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928999 JG Annotated Anodyne CN(Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929072 JG Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CN(C)S(=O)(=O)c4cccnc4)[nH]c3c2)cc1 ZINC000586929081 JG Annotated Anodyne COC(=O)c1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586929185 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000586929229 JG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc2c1 ZINC000586929238 JG Annotated Mild CN(Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929301 JG Annotated Mild CN(Cc1nc2cc(I)cnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929453 JG Annotated Anodyne CN(Cc1nc2c(Br)ccc(Br)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929504 JG Annotated Anodyne CN(Cc1nc2c(Br)cnc(Br)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929569 JG Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(C(=O)OC)nc3[nH]2)c1 ZINC000586929812 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000586929818 JG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(COc3ccc(S(N)(=O)=O)cc3C)nc2c1 ZINC000586930223 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000586930274 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000586930583 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C(=O)OC)ncc3[nH]2)c1 ZINC000586930705 JG Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c2)cc1 ZINC000586930856 JG Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586930893 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(C(=O)OC)ccnc3[nH]2)c1 ZINC000586931195 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000586931237 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 ZINC000586931254 JG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc2c1 ZINC000586931613 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000586931829 JG Annotated Clean CN(C)S(=O)(=O)c1ccc(OCc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586931830 JG Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586931850 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000586931950 JG Annotated Bother CN(C)S(=O)(=O)c1ccc(OCc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586931957 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586932258 JG Annotated Bother CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000586932263 JG Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc12 ZINC000586934030 JG Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc12 ZINC000586934035 JG Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2c1 ZINC000586934242 JG Annotated Anodyne Cc1cc(F)c2[nH]c([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2c1 ZINC000586934243 JG Annotated Anodyne CSc1ccc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1 ZINC000586934246 JG Annotated Anodyne CSc1ccc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1 ZINC000586934247 JG Annotated Anodyne CC(C)Oc1ccc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1 ZINC000586934366 JG Annotated Anodyne CC(C)Oc1ccc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1 ZINC000586934367 JG Annotated Anodyne Cc1c(F)ccc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c12 ZINC000586934567 JG Annotated Anodyne Cc1c(F)ccc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c12 ZINC000586934568 JG Annotated Anodyne Cc1cc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1C ZINC000586934630 JG Annotated Anodyne Cc1cc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1C ZINC000586934643 JG Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586934656 JG Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586934665 JG Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000586934829 JG Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000586934832 JG Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000586934875 JG Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000586934878 JG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4cc(S(=O)(=O)NC(C)C)c[nH]4)nc3c2)cc1 ZINC000586934964 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc(Cl)cc(F)c4[nH]3)cccc12 ZINC000586935080 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc(Cl)cc(F)c4[nH]3)cccc12 ZINC000586935091 JG Annotated Anodyne CC(C)Oc1ccc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000586935115 JG Annotated Anodyne CC(C)Oc1ccc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000586935121 JG Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586935208 JG Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586935212 JG Annotated Anodyne CSc1ccc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000586935290 JG Annotated Anodyne CSc1ccc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000586935297 JG Annotated Anodyne Cc1ccc2nc([C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1 ZINC000586935361 JG Annotated Anodyne Cc1ccc2nc([C@@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1 ZINC000586935363 JG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1 ZINC000586935452 JG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(I)cnc2[nH]1 ZINC000586935464 JG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(I)cnc2[nH]1 ZINC000586935465 JG Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2cc1Br ZINC000586935502 JG Annotated Anodyne Cc1cc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1F ZINC000586935684 JG Annotated Anodyne Cc1cc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1F ZINC000586935686 JG Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc12 ZINC000586935740 JG Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc12 ZINC000586935743 JG Annotated Anodyne C=CCc1cccc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586935772 JG Annotated Mild C=CCc1cccc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586935774 JG Annotated Mild CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586935781 JG Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586935782 JG Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586935800 JG Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586935802 JG Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586935820 JG Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586935821 JG Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000586935848 JG Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000586935850 JG Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586935873 JG Annotated Mild CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586935874 JG Annotated Mild CC(C)CCOc1cc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2cc1Br ZINC000586936064 JG Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@H](C)O)cc1 ZINC000586936144 JG Annotated Bother COc1ccc(S(=O)(=O)N[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@H](C)O)cc1 ZINC000586936147 JG Annotated Bother COc1ccc(S(=O)(=O)N[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@H](C)O)cc1 ZINC000586936149 JG Annotated Bother COc1ccc(S(=O)(=O)N[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@H](C)O)cc1 ZINC000586936153 JG Annotated Bother CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4ccc(Cl)cc4[nH]3)cccc12 ZINC000586936156 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4ccc(Cl)cc4[nH]3)cccc12 ZINC000586936161 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4ccc(C(C)(C)C)nc4[nH]3)cccc12 ZINC000586936203 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4ccc(C(C)(C)C)nc4[nH]3)cccc12 ZINC000586936207 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cnc5ccccc5c4[nH]3)cccc12 ZINC000586936216 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cnc5ccccc5c4[nH]3)cccc12 ZINC000586936227 JG Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000586936591 JG Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)[C@H](C)O)cc1 ZINC000586936703 JG Annotated Clean COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586936710 JG Annotated Clean COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586936711 JG Annotated Clean COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)[C@H](C)O)cc1 ZINC000586936712 JG Annotated Clean COc1cc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Cl ZINC000586936828 JG Annotated Anodyne COc1cc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Cl ZINC000586936829 JG Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586936856 JG Annotated Anodyne CC(C)(C)c1ccc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2n1 ZINC000586936874 JG Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2n1 ZINC000586936877 JG Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)NS(=O)(=O)c5cnn(C)c5)[nH]c4c3)o2)cc1 ZINC000586936922 JG Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)NS(=O)(=O)c5cnn(C)c5)[nH]c4c3)o2)cc1 ZINC000586936927 JG Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586937029 JG Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586937039 JG Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586937049 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc(C#N)cc(Cl)c4[nH]3)cccc12 ZINC000586937203 JG Annotated Mild COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Br)cc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586937206 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc(C#N)cc(Cl)c4[nH]3)cccc12 ZINC000586937208 JG Annotated Mild COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586937209 JG Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Br)cc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586937211 JG Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586937212 JG Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586937311 JG Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586937417 JG Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586937418 JG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586937597 JG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586937600 JG Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586937635 JG Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586937637 JG Annotated Anodyne CCc1ccc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1 ZINC000586937739 JG Annotated Anodyne CCc1ccc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1 ZINC000586937740 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc(Cl)c(F)cc4[nH]3)cccc12 ZINC000586937789 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc(Cl)c(F)cc4[nH]3)cccc12 ZINC000586937792 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cccc(Cl)c4[nH]3)cccc12 ZINC000586937805 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cccc(Cl)c4[nH]3)cccc12 ZINC000586937807 JG Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586937808 JG Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586937810 JG Annotated Anodyne Cc1c(F)ccc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586937975 JG Annotated Anodyne Cc1c(F)ccc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586937978 JG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586938043 JG Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586938049 JG Annotated Bother Cc1cc(C)c2[nH]c([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc2c1 ZINC000586938052 JG Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc2c1 ZINC000586938054 JG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586938086 JG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586938090 JG Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586938100 JG Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586938101 JG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2nc(Br)c[nH]c-2n1 ZINC000586938105 JG Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)ncc(Br)c3[nH]2)c1 ZINC000586938109 JG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2nc(Br)c[nH]c-2n1 ZINC000586938110 JG Annotated Anodyne Cc1ccc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1C ZINC000586938178 JG Annotated Anodyne Cc1ccc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1C ZINC000586938180 JG Annotated Anodyne C=CCc1cccc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c12 ZINC000586938261 JG Annotated Mild C=CCc1cccc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c12 ZINC000586938268 JG Annotated Mild Cc1ccc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1C ZINC000586938370 JG Annotated Anodyne Cc1ccc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1C ZINC000586938371 JG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586938430 JG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586938437 JG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586938480 JG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586938485 JG Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586938510 JG Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586938511 JG Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c2c1 ZINC000586938587 JG Annotated Anodyne CCc1ccc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000586938608 JG Annotated Anodyne CCc1ccc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000586938609 JG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586938614 JG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586938619 JG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586938620 JG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586938621 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4ccc5ncccc5c4[nH]3)cccc12 ZINC000586938781 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4ccc5ncccc5c4[nH]3)cccc12 ZINC000586938783 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4ccc(F)cc4[nH]3)cccc12 ZINC000586938793 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4ccc(F)cc4[nH]3)cccc12 ZINC000586938796 JG Annotated Anodyne Cc1cc(C)c2[nH]c([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2c1 ZINC000586938821 JG Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2c1 ZINC000586938822 JG Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586939059 JG Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586939062 JG Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586939064 JG Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586939065 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc(F)c(F)c(F)c4[nH]3)cccc12 ZINC000586939072 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc(F)c(F)c(F)c4[nH]3)cccc12 ZINC000586939081 JG Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(Cl)c2[nH]1 ZINC000586939084 JG Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(Cl)c2[nH]1 ZINC000586939086 JG Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586939133 JG Annotated Anodyne COC(=O)c1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586939135 JG Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc12 ZINC000586939149 JG Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc12 ZINC000586939154 JG Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@H](C)O)cc1 ZINC000586939292 JG Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@@H](C)O)cc1 ZINC000586939293 JG Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@@H](C)O)cc1 ZINC000586939294 JG Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@H](C)O)cc1 ZINC000586939295 JG Annotated Anodyne CC(C)COc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br ZINC000586939468 JG Annotated Anodyne CC(C)COc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br ZINC000586939469 JG Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000586939634 JG Annotated Mild C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586939922 JG Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586939923 JG Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586939936 JG Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586939937 JG Annotated Anodyne CCCCOc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br ZINC000586940215 JG Annotated Anodyne CCCCOc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br ZINC000586940216 JG Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 ZINC000586940399 JG Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)nc2c1 ZINC000586940593 JG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3c(C)c(Br)cnc3[nH]2)cc1[N+](=O)[O-] ZINC000586940715 JG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1[N+](=O)[O-] ZINC000586940734 JG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(Br)c(C)nc3[nH]2)cc1[N+](=O)[O-] ZINC000586940786 JG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940825 JG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940843 JG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940898 JG Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586940955 JG Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586940956 JG Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CNS(=O)(=O)c4ccc5c(c4)OCCO5)[nH]c3c2)cc1 ZINC000586941075 JG Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(Br)c(O)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941127 JG Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000586941180 JG Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000586941181 JG Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cccc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941196 JG Annotated Bother O=S(=O)(NCc1nc2ccc(OCc3ccccc3)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941246 JG Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000586941273 JG Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000586941279 JG Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1[N+](=O)[O-] ZINC000586941478 JG Annotated Bother O=S(=O)(NCc1nc2ccc(Br)nc2[nH]1)c1ccc(Br)s1 ZINC000586941525 JG Annotated Anodyne O=S(=O)(NCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(Br)s1 ZINC000586941595 JG Annotated Anodyne O=S(=O)(NCCc1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(Cl)nc1 ZINC000586941636 JG Annotated Anodyne O=S(=O)(NCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(Br)s1 ZINC000586941639 JG Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941651 JG Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2c1 ZINC000586941668 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2c1 ZINC000586941671 JG Annotated Anodyne O=S(=O)(NCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(Br)s1 ZINC000586941722 JG Annotated Anodyne O=S(=O)(NCc1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941727 JG Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(C#N)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941807 JG Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2c1 ZINC000586941815 JG Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(Cl)nc1 ZINC000586941935 JG Annotated Anodyne O=S(=O)(NCc1nc2c(F)cnc(Br)c2[nH]1)c1ccc(Br)s1 ZINC000586941977 JG Annotated Anodyne O=[N+]([O-])c1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1Cl ZINC000586941993 JG Annotated Bother O=S(=O)(NCCc1nc2ccc(CO)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586942066 JG Annotated Anodyne Cc1cncc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12 ZINC000586942084 JG Annotated Anodyne O=S(=O)(NCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942085 JG Annotated Anodyne Nc1ccc(Oc2ccc3nc(CNS(=O)(=O)c4ccc5c(c4)OCCO5)[nH]c3c2)cc1 ZINC000586942105 JG Annotated Clean O=S(=O)(NCc1nc2cc(Br)ncc2[nH]1)c1ccc(Br)s1 ZINC000586942215 JG Annotated Anodyne CC(C)Oc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Br ZINC000586942235 JG Annotated Anodyne COc1nccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12 ZINC000586942271 JG Annotated Anodyne O=S(=O)(NCc1nc2cncc(Br)c2[nH]1)c1ccc(Br)s1 ZINC000586942311 JG Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc(Cl)nc1 ZINC000586942315 JG Annotated Anodyne Cc1nc2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc2cc1Br ZINC000586942316 JG Annotated Anodyne Cc1c(Br)cnc2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc12 ZINC000586942331 JG Annotated Anodyne O=S(=O)(NCCc1nc2cccnc2[nH]1)c1cc(Br)ccc1Br ZINC000586942382 JG Annotated Anodyne O=S(=O)(NCCc1nc2nc(Cl)c[nH]c-2n1)c1cc(Br)ccc1Br ZINC000586942386 JG Annotated Anodyne COc1ccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2n1 ZINC000586942395 JG Annotated Anodyne O=S(=O)(NCc1nc2cccc(I)c2[nH]1)c1ccc(Br)s1 ZINC000586942400 JG Annotated Anodyne O=S(=O)(NCc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942478 JG Annotated Anodyne Cc1c(Br)cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1C ZINC000586942513 JG Annotated Anodyne O=S(=O)(NCc1nc2c(Br)ccnc2[nH]1)c1ccc(Br)s1 ZINC000586942541 JG Annotated Anodyne CC1=C(c2ccc3nc(CCNS(=O)(=O)c4c(Cl)cccc4Cl)[nH]c3c2)NNC(=O)C1 ZINC000586942573 JG Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586942589 JG Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942656 JG Annotated Anodyne Cc1nccc2[nH]c(CCNS(=O)(=O)c3cc(Br)ccc3Br)nc12 ZINC000586942682 JG Annotated Anodyne Cc1cnc2[nH]c(CCNS(=O)(=O)c3cc(Br)ccc3Br)nc2c1 ZINC000586942696 JG Annotated Anodyne CCCOc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Br ZINC000586942711 JG Annotated Anodyne O=S(=O)(NCCc1nc2c(Cl)ncnc2[nH]1)c1cc(Br)ccc1Br ZINC000586942794 JG Annotated Anodyne N#Cc1cccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12 ZINC000586942819 JG Annotated Mild O=S(=O)(NCc1nc2ccnc(Br)c2[nH]1)c1ccc(Br)s1 ZINC000586942858 JG Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586942869 JG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc2c1 ZINC000586942908 JG Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)cnc2[nH]1)c1ccc(Br)s1 ZINC000586942936 JG Annotated Anodyne O=S(=O)(NCCc1nc2cccc(O)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943081 JG Annotated Anodyne O=[N+]([O-])c1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1[N+](=O)[O-] ZINC000586943119 JG Annotated Bother O=S(=O)(NCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1c(Cl)cccc1Cl ZINC000586943142 JG Annotated Anodyne O=S(=O)(NCCc1nc2cc3cn[nH]c3cc2[nH]1)c1cc(Br)ccc1Br ZINC000586943158 JG Annotated Anodyne Cc1ccnc2[nH]c(CCNS(=O)(=O)c3cc(Br)ccc3Br)nc12 ZINC000586943162 JG Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc2c1 ZINC000586943226 JG Annotated Mild O=S(=O)(NCCc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943241 JG Annotated Anodyne O=S(=O)(NCc1nc2ccc(I)cc2[nH]1)c1ccc(Br)s1 ZINC000586943253 JG Annotated Anodyne O=S(=O)(NCc1nc2ccc(Br)c(O)c2[nH]1)c1ccc(Br)s1 ZINC000586943307 JG Annotated Anodyne O=S(=O)(NCCc1nc2cnc(Cl)[nH]c-2n1)c1cc(Br)ccc1Br ZINC000586943311 JG Annotated Anodyne CN(C)CCOc1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000586943316 JG Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000586943331 JG Annotated Anodyne O=S(=O)(NCCc1nc2cc(I)cnc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943336 JG Annotated Anodyne COc1cncc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12 ZINC000586943377 JG Annotated Anodyne COC(=O)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1OC ZINC000586943411 JG Annotated Anodyne O=S(=O)(NCCc1nc2cnccc2[nH]1)c1cc(Br)ccc1Br ZINC000586943421 JG Annotated Anodyne N#Cc1ccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2c1 ZINC000586943453 JG Annotated Mild O=S(=O)(NCCc1nc2ccc(O)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586943458 JG Annotated Anodyne COc1cc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2cn1 ZINC000586943482 JG Annotated Anodyne Cc1ccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2n1 ZINC000586943483 JG Annotated Anodyne O=S(=O)(NCCc1nc2cc(F)cnc2[nH]1)c1cc(Br)ccc1Br ZINC000586943486 JG Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 ZINC000586943491 JG Annotated Bother O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc(F)cc3[nH]2)c1 ZINC000586943602 JG Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 ZINC000586943611 JG Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 ZINC000586943634 JG Annotated Bother Cc1cc2[nH]c(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)nc2cc1[N+](=O)[O-] ZINC000586943645 JG Annotated Bother Cc1cc2[nH]c(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)nc2c(C)n1 ZINC000586943680 JG Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c12 ZINC000586943725 JG Annotated Mild O=C(O)c1cc(F)cc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c12 ZINC000586943736 JG Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3c(Cl)ccnc3[nH]2)c1 ZINC000586943792 JG Annotated Anodyne COc1ccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2c1 ZINC000586943902 JG Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586943907 JG Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc(F)c(F)c3[nH]2)c1 ZINC000586943988 JG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4cncc([N+](=O)[O-])c4[nH]3)cccc12 ZINC000586944031 JG Annotated Bother O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(Cl)cnc3[nH]2)c1 ZINC000586944060 JG Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000586944225 JG Annotated Bother CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2)cc1 ZINC000586944269 JG Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000586944289 JG Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(F)cc(F)c3[nH]2)c1 ZINC000586944298 JG Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc(Cl)nc3[nH]2)c1 ZINC000586944316 JG Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cncc(Cl)c3[nH]2)c1 ZINC000586944348 JG Annotated Anodyne O=C(O)c1cc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2cc1F ZINC000586944442 JG Annotated Anodyne N#Cc1cccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c12 ZINC000586944452 JG Annotated Mild O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(Cl)ncc3[nH]2)c1 ZINC000586944584 JG Annotated Anodyne COc1cc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2cc1F ZINC000586944747 JG Annotated Anodyne O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586944769 JG Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccnc(Cl)c3[nH]2)c1 ZINC000586944776 JG Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cccc(F)c3[nH]2)c1 ZINC000586944781 JG Annotated Anodyne CC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2c1 ZINC000586944836 JG Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)cc1 ZINC000586944861 JG Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 ZINC000586944866 JG Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2)cc1 ZINC000586944974 JG Annotated Bother Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(C)c(Br)cnc2[nH]1 ZINC000586945034 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(C)c(Br)cnc2[nH]1 ZINC000586945035 JG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(CNS(C)(=O)=O)oc3C)nc2c1 ZINC000586945082 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586945209 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586945210 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586945268 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Br)ncc2[nH]1 ZINC000586945303 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Br)ncc2[nH]1 ZINC000586945306 JG Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(I)cnc2[nH]1 ZINC000586945323 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586945365 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586945368 JG Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2c1 ZINC000586945379 JG Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2c1 ZINC000586945382 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cncc(Br)c2[nH]1 ZINC000586945516 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cncc(Br)c2[nH]1 ZINC000586945517 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Br)c(C)nc2[nH]1 ZINC000586945561 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Br)c(C)nc2[nH]1 ZINC000586945562 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Br)cnc2[nH]1 ZINC000586945592 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Br)cnc2[nH]1 ZINC000586945593 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(Br)ccnc2[nH]1 ZINC000586945717 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(Br)ccnc2[nH]1 ZINC000586945718 JG Annotated Anodyne CC1=C(c2ccc3nc(-c4sccc4S(=O)(=O)NCc4ccco4)[nH]c3c2)NNC(=O)C1 ZINC000586945814 JG Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc12 ZINC000586945858 JG Annotated Bother O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12 ZINC000586945868 JG Annotated Bother Cc1c(Br)cnc2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c12 ZINC000586945935 JG Annotated Anodyne Cc1c(Br)cnc2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c12 ZINC000586945937 JG Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586946016 JG Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586946127 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586946207 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586946209 JG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCc3ccc(S(=O)(=O)NC)cc3)nc2c1 ZINC000586946264 JG Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586946382 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586946416 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586946422 JG Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586946548 JG Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 ZINC000586946569 JG Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 ZINC000586946572 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586946576 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586946582 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccnc(Br)c2[nH]1 ZINC000586946586 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccnc(Br)c2[nH]1 ZINC000586946587 JG Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)n(C)c1 ZINC000586946731 JG Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)n(C)c1 ZINC000586946737 JG Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 ZINC000586946792 JG Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 ZINC000586946793 JG Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc12 ZINC000586946847 JG Annotated Bother O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12 ZINC000586946849 JG Annotated Bother Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(Br)nc2[nH]1 ZINC000586946884 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(Br)nc2[nH]1 ZINC000586946885 JG Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 ZINC000586946892 JG Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2c1 ZINC000586946926 JG Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2c1 ZINC000586946928 JG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)nc2c1 ZINC000586946932 JG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)nc2c1 ZINC000586946934 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586946958 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586946961 JG Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 ZINC000586947022 JG Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1 ZINC000586947152 JG Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1 ZINC000586947158 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586947168 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586947169 JG Annotated Anodyne N#Cc1cc(Br)c2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2c1 ZINC000586947176 JG Annotated Mild N#Cc1cc(Br)c2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2c1 ZINC000586947177 JG Annotated Mild CNS(=O)(=O)c1cc(-c2nc3c(F)c(Nc4ccccc4)c(C(=O)OC)cc3[nH]2)n(C)c1 ZINC000586947221 JG Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)n(C)c1 ZINC000586947409 JG Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cnncc3[nH]2)cc1 ZINC000586947787 JG Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(N)ncc3[nH]2)cc1 ZINC000586947811 JG Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000586948113 JG Annotated Clean CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccnc(N)c3[nH]2)cc1 ZINC000586948386 JG Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000586948432 JG Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4ccccc4NS(C)(=O)=O)[nH]c3c2)cc1 ZINC000586948808 JG Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(N)ccnc3[nH]2)cc1 ZINC000586949052 JG Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586949121 JG Annotated Bother COC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2n1 ZINC000586949158 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1 ZINC000586949252 JG Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ncc[nH]c-3n2)cc1 ZINC000586949276 JG Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586949458 JG Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(C(N)=O)c2[nH]1 ZINC000586949537 JG Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc2c1 ZINC000586949600 JG Annotated Clean CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cncnc3[nH]2)cc1 ZINC000586949710 JG Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(S(N)(=O)=O)cccc4[nH]3)cc2)c1C ZINC000586949732 JG Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586949848 JG Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2ccc(CCO)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586949942 JG Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2nc(Br)c[nH]c-2n1)c1ccc2c(c1)OCCO2 ZINC000586949950 JG Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586949960 JG Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586950066 JG Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc2c1 ZINC000586950086 JG Annotated Anodyne COC(=O)c1cc2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc2cc1OC ZINC000586950145 JG Annotated Anodyne COC(=O)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1OC ZINC000586950239 JG Annotated Anodyne O=C1COc2cc3[nH]c(-c4ccccc4NS(=O)(=O)c4ccc5c(c4)OCCO5)nc3cc2N1 ZINC000586950270 JG Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950458 JG Annotated Anodyne CC1=C(c2ccc3nc(CS(=O)(=O)Nc4ccc(N5CCCCC5)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586950634 JG Annotated Anodyne O=[N+]([O-])c1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000586950644 JG Annotated Bother CN(C)CCOc1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 ZINC000586950700 JG Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc2cc1OC ZINC000586950705 JG Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586950721 JG Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1OC ZINC000586950880 JG Annotated Anodyne CN(C)CCOc1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 ZINC000586950939 JG Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586951056 JG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 ZINC000586951200 JG Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 ZINC000586951202 JG Annotated Anodyne O=S(=O)(Cc1nc2cc(I)cnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951292 JG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1[N+](=O)[O-] ZINC000586951432 JG Annotated Bother Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586951460 JG Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 ZINC000586951604 JG Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 ZINC000586951622 JG Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc2c1 ZINC000586951633 JG Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000586951637 JG Annotated Anodyne O=C1CCc2cc3nc(-c4cc(S(=O)(=O)NC5CC5)ccc4Br)[nH]c3cc2N1 ZINC000586951652 JG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1F ZINC000586951668 JG Annotated Bother N#Cc1nc(Cl)cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586951718 JG Annotated Mild O=C(O)c1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1F ZINC000586951720 JG Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 ZINC000586951743 JG Annotated Anodyne COC(=O)c1cccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586951763 JG Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cnnc(O)c5[nH]4)c3c2)cc1 ZINC000586951865 JG Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)nc2c1 ZINC000586952027 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 ZINC000586952071 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 ZINC000586952072 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000586952089 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cccc(C(=O)O)c3[nH]2)cc1 ZINC000586952146 JG Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(I)cnc2[nH]1 ZINC000586952492 JG Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(N)ncc5[nH]4)c3c2)cc1 ZINC000586952545 JG Annotated Anodyne COC(=O)c1cccc2nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)[nH]c12 ZINC000586952583 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586952601 JG Annotated Bother O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586952731 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cncc(Cl)c3[nH]2)cc1 ZINC000586952737 JG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3c(Br)cnc(Br)c3[nH]2)CC1 ZINC000586952782 JG Annotated Anodyne CC1=C(c2ccc3nc(-c4sccc4S(=O)(=O)Nc4cccnc4)[nH]c3c2)NNC(=O)C1 ZINC000586952792 JG Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3c(I)cnc(Cl)c3[nH]2)CC1 ZINC000586952830 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc(Cl)nc3[nH]2)cc1 ZINC000586952832 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 ZINC000586952852 JG Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1 ZINC000586952856 JG Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccnc(N)c5[nH]4)c3c2)cc1 ZINC000586952965 JG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CS(=O)(=O)NC4CCC(C)CC4)[nH]c3c2)cc1 ZINC000586952976 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccnc(Cl)c3[nH]2)cc1 ZINC000586953228 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000586953229 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cccc(C#N)c3[nH]2)cc1 ZINC000586953230 JG Annotated Mild CCCS(=O)(=O)N1CCC(c2nc3c(I)cnc(Cl)c3[nH]2)CC1 ZINC000586953307 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000586953345 JG Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3c(Br)cnc(Br)c3[nH]2)CC1 ZINC000586953395 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c(C)nc(C)cc3[nH]2)cc1 ZINC000586953429 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c(Cl)ccnc3[nH]2)cc1 ZINC000586953596 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000586953612 JG Annotated Mild Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000586953618 JG Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3sc(NS(C)(=O)=O)nc3C)nc2c1 ZINC000586953672 JG Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5nc(C#N)c(C#N)[nH]c-5n4)[nH]c23)cc1 ZINC000586953771 JG Annotated Mild Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000586953790 JG Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)CC1 ZINC000586954254 JG Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccc(-n4cnnn4)cc3[nH]2)CC1 ZINC000586954800 JG Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(-n5cnnn5)cc4[nH]3)CC2)cc1 ZINC000586954855 JG Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)CC2)CC1 ZINC000586954914 JG Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc5ccccc5cc4[nH]3)CC2)CC1 ZINC000586954992 JG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)CC1 ZINC000586955077 JG Annotated Anodyne CC(C)(C)c1ccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2c1 ZINC000586955081 JG Annotated Anodyne CC1=C(c2ccc3nc(C4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)[nH]c3c2)NNC(=O)C1 ZINC000586955180 JG Annotated Anodyne COC(=O)c1ccnc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc12 ZINC000586955348 JG Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2N)C1 ZINC000586955365 JG Annotated Anodyne COC(=O)c1cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2cn1 ZINC000586955421 JG Annotated Anodyne N=c1[nH]c2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc-2c(Cl)[nH]1 ZINC000586955705 JG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc2c1 ZINC000586955743 JG Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2N)C1 ZINC000586955748 JG Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(I)cnc3[nH]2)c1)N1CCC1 ZINC000586955838 JG Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc(Cl)cc(Cl)c4[nH]3)CC2)CC1 ZINC000586956115 JG Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1)N1CCC1 ZINC000586956202 JG Annotated Anodyne CC(C)(C)c1cccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c12 ZINC000586956220 JG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586956236 JG Annotated Bother O=S(=O)(c1cc(-c2nc3c(O)nc(S)nc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956261 JG Annotated Anodyne N#Cc1nc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2nc1C#N ZINC000586956270 JG Annotated Mild COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586956276 JG Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)nc12 ZINC000586956342 JG Annotated Anodyne COc1ccc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956424 JG Annotated Anodyne COc1ccc(Cc2nc3ccc(Br)c(C)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956432 JG Annotated Anodyne COC(=O)c1cc2nc(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)[nH]c2cn1 ZINC000586956474 JG Annotated Anodyne COc1ccc(Cc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956511 JG Annotated Mild COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586956517 JG Annotated Anodyne COc1ccc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956547 JG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586956579 JG Annotated Bother COc1ccc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956584 JG Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)[nH]c2n1 ZINC000586956695 JG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586956729 JG Annotated Anodyne COc1ccc(Cc2nc3ccc(F)c(Br)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956749 JG Annotated Anodyne COc1ccc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956768 JG Annotated Anodyne COc1ccc(Cc2nc3cc(Br)cc(F)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956778 JG Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cccc(Br)c4[nH]3)c2c1)N1CCOCC1 ZINC000586956800 JG Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c12 ZINC000586956805 JG Annotated Anodyne COc1ccc(Cc2nc3ccc4nc(C)ccc4c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956815 JG Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586956911 JG Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2c1)N1CCOCC1 ZINC000586956929 JG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586956936 JG Annotated Anodyne COc1ccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956938 JG Annotated Bother COc1ccc(Cc2nc3cc(Br)c(F)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956969 JG Annotated Anodyne COc1ccc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956973 JG Annotated Anodyne COc1ccc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956980 JG Annotated Anodyne COc1ccc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957015 JG Annotated Anodyne Cc1cc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c2cc1Cl ZINC000586957217 JG Annotated Anodyne COc1ccc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957220 JG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c2cc1Cl ZINC000586957236 JG Annotated Bother COc1ccc(Cc2nc3cc(C)cc(Br)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957240 JG Annotated Anodyne COc1ccc(Cc2nc3ccc(Br)c(F)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957251 JG Annotated Anodyne COc1ccc(Cc2nc3cc(C)c(Br)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957287 JG Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2c1)N1CCOCC1 ZINC000586957295 JG Annotated Anodyne COc1ccc(Cc2nc3cc(F)cc(Br)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957324 JG Annotated Anodyne COc1ccc(Cc2nc3cc(Br)cc(C)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957345 JG Annotated Anodyne COc1cc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1Cl ZINC000586957568 JG Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586957621 JG Annotated Mild O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2c1)N1CCOCC1 ZINC000586957690 JG Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000586957693 JG Annotated Mild O=S(=O)(c1ccc2nc(O)cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2c1)N1CCOCC1 ZINC000586957742 JG Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000586957865 JG Annotated Mild O=S(=O)(c1ccc2nc(O)cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2c1)N1CCOCC1 ZINC000586958086 JG Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000586958309 JG Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000586958334 JG Annotated Mild Cc1ccc2c(ccc3nc(-c4cc(O)nc5ccc(S(=O)(=O)N6CCOCC6)cc45)[nH]c32)n1 ZINC000586958571 JG Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cnc5ccccc5c4[nH]3)c2c1)N1CCOCC1 ZINC000586958645 JG Annotated Anodyne C=CCc1cccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c12 ZINC000586958765 JG Annotated Mild O=S(=O)(c1ccc2nc(O)cc(-c3nc4ccc5ncccc5c4[nH]3)c2c1)N1CCOCC1 ZINC000586958832 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586959150 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586959151 JG Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000586959187 JG Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000586959556 JG Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000586959975 JG Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 ZINC000586960216 JG Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586960452 JG Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(COCCOCCOS(=O)(=O)c3ccc(C)cc3)nc2c1 ZINC000586960543 JG Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C[S@@](=O)CC3CC3)nc1-2 ZINC000586960676 JG Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C[S@](=O)CC3CC3)nc1-2 ZINC000586960681 JG Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000586960749 JG Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)Sc4nc(N)cc(O)n4)[nH]c3c2)cc1 ZINC000586960941 JG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)Sc4nc(N)cc(O)n4)[nH]c3c2)cc1 ZINC000586960943 JG Annotated Anodyne CSc1ccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c2c1 ZINC000586961150 JG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586961293 JG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586961295 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586961364 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586961366 JG Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000586961600 JG Annotated Mild O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2c1)N1CCOCC1 ZINC000586961616 JG Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)ccc1Cl ZINC000586963771 JG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586964365 JG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586964709 JG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586965218 JG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(I)cnc2[nH]1 ZINC000586965296 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nnc(Cn4ccc(C)n4)n3CC)[nH]c2c1 ZINC000586965311 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CSc3nnc(Cn4ccc(C)n4)n3CC)[nH]c2c1 ZINC000586965570 JG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000586965731 JG Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c(C)c1 ZINC000586966084 JG Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(C(=O)NN)cc3[nH]2)c1C=O ZINC000586968458 JG Annotated Reactive C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)C[C@@H](C)O1 ZINC000586968664 JG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)C[C@@H](C)O1 ZINC000586968667 JG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)C[C@H](C)O1 ZINC000586968668 JG Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(O)nc(S)nc3[nH]2)C[C@@H](C)O1 ZINC000586969017 JG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(O)nc(S)nc3[nH]2)C[C@@H](C)O1 ZINC000586969018 JG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(O)nc(S)nc3[nH]2)C[C@H](C)O1 ZINC000586969019 JG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@@H](C)O1 ZINC000586969580 JG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@H](C)O1 ZINC000586969581 JG Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@@H](C)O1 ZINC000586969582 JG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=O)NN)cc3[nH]2)C[C@H](C)O1 ZINC000586969615 JG Annotated Reactive C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=O)NN)cc3[nH]2)C[C@@H](C)O1 ZINC000586969616 JG Annotated Reactive C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=O)NN)cc3[nH]2)C[C@@H](C)O1 ZINC000586969617 JG Annotated Reactive Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CSc3cccc[n+]3[O-])nc1-2 ZINC000586970094 JG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(S(N)(=O)=O)c3[nH]2)C[C@H](C)O1 ZINC000586970343 JG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(S(N)(=O)=O)c3[nH]2)C[C@@H](C)O1 ZINC000586970344 JG Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(S(N)(=O)=O)c3[nH]2)C[C@@H](C)O1 ZINC000586970347 JG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)C[C@H](C)O1 ZINC000586970388 JG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)C[C@@H](C)O1 ZINC000586970389 JG Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)C[C@@H](C)O1 ZINC000586970390 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CBr)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586972137 JG Annotated Reactive Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CBr)nc1-2 ZINC000586972413 JG Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586972693 JG Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586972695 JG Annotated Reactive CCCCNS(=O)(=O)c1ccc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2c1 ZINC000586974016 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2c1 ZINC000586974022 JG Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1OC ZINC000586974205 JG Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1OC ZINC000586974206 JG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2c1OC ZINC000586974535 JG Annotated Anodyne COC(=O)c1ccc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2c1OC ZINC000586974541 JG Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1OC ZINC000586975008 JG Annotated Bother COc1cc(Br)c([C@@H](N)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1OC ZINC000586975009 JG Annotated Bother COc1cc(Br)c([C@H](N)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1OC ZINC000586975366 JG Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1OC ZINC000586975367 JG Annotated Anodyne Cc1cc(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)ccc1Br ZINC000586975488 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2c1 ZINC000586976530 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2c1 ZINC000586976532 JG Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1OC ZINC000586976533 JG Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1OC ZINC000586976538 JG Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](N)c3cc(OC)c(OC)cc3Br)nc2cc1OC ZINC000586976553 JG Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](N)c3cc(OC)c(OC)cc3Br)nc2cc1OC ZINC000586976555 JG Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586976748 JG Annotated Bother COC(=O)c1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2n1 ZINC000586977722 JG Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586977865 JG Annotated Anodyne COc1cc(/C=C\c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)ccc1Br ZINC000586977982 JG Annotated Anodyne COc1cc(/C=C/c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)ccc1Br ZINC000586977983 JG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc12 ZINC000586978305 JG Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586978339 JG Annotated Anodyne COC(=O)c1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cn1 ZINC000586978406 JG Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586978527 JG Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586978584 JG Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586978644 JG Annotated Bother O=S(=O)(c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1)N1CCOCC1 ZINC000586979117 JG Annotated Anodyne Cc1c(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979501 JG Annotated Bother Cc1ncc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(C)c1Br ZINC000586979981 JG Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586980463 JG Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000586980633 JG Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586980967 JG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984194 JG Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984197 JG Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986592 JG Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1cnn(C)c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986593 JG Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@H]2C[C@H]1C(=O)O ZINC000586987793 JG Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@@H]2C[C@H]1C(=O)O ZINC000586987794 JG Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@@H]2C[C@@H]1C(=O)O ZINC000586987795 JG Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@H]2C[C@@H]1C(=O)O ZINC000586987796 JG Annotated Anodyne CCOC(=O)c1nnn(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C(=O)OCC ZINC000586988478 JG Annotated Anodyne CN1C=N[C@H]2[C@@H]1C(=O)N(CCCCc1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)C(=O)N2C ZINC000586988818 JG Annotated Anodyne CN1C(=O)N(CCCCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C(=O)[C@H]2[C@H]1N=CN2C ZINC000586988819 JG Annotated Anodyne CN1C=N[C@H]2[C@H]1C(=O)N(CCCCc1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)C(=O)N2C ZINC000586988820 JG Annotated Anodyne CN1C=N[C@@H]2[C@H]1C(=O)N(CCCCc1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)C(=O)N2C ZINC000586988821 JG Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@@H](C(=O)OCC)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586990515 JG Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586990518 JG Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@@H](C(=O)OCC)c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586990521 JG Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)OCC)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586990522 JG Annotated Anodyne O=C(O)CNS(=O)(=O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586993864 JG Annotated Anodyne O=C(O)CNS(=O)(=O)c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586993972 JG Annotated Anodyne CCOC(=O)[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)[C@H]1CCS(=O)(=O)C1 ZINC000586994494 JG Annotated Anodyne CCOC(=O)[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)[C@H]1CCS(=O)(=O)C1 ZINC000586994495 JG Annotated Anodyne CCOC(=O)[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)[C@@H]1CCS(=O)(=O)C1 ZINC000586994496 JG Annotated Anodyne CCOC(=O)[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)[C@@H]1CCS(=O)(=O)C1 ZINC000586994497 JG Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(O)nc(O)nc2[nH]1 ZINC000586995764 JG Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586996399 JG Annotated Anodyne O=S(=O)(c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1)N1CCOCC1 ZINC000586996457 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586997415 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586997416 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998039 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998041 JG Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1)N1CCOCC1 ZINC000586999269 JG Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1)N1CCOCC1 ZINC000586999270 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 ZINC000586999490 JG Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cc2cc1Br ZINC000586999517 JG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586999689 JG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(Br)cnc2[nH]1 ZINC000586999720 JG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(Br)ncc2[nH]1 ZINC000586999749 JG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2c(Br)ccnc2[nH]1 ZINC000586999860 JG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cncc(Br)c2[nH]1 ZINC000587000230 JG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(I)cnc2[nH]1 ZINC000587000646 JG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(Br)nc2[nH]1 ZINC000587000782 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 ZINC000587000927 JG Annotated Anodyne CCS(=O)(=O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 ZINC000587001029 JG Annotated Anodyne CC1=C(c2ccc3nc(CCN4C(=O)COc5cc(Br)ccc54)[nH]c3c2)NNC(=O)C1 ZINC000587001277 JG Annotated Anodyne CN(C)CCOc1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 ZINC000587001325 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 ZINC000587001414 JG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccnc(Br)c2[nH]1 ZINC000587001417 JG Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(S(N)(=O)=O)cccc4[nH]3)cc2cc1Br ZINC000587001433 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 ZINC000587001548 JG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587001669 JG Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 ZINC000587001972 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 ZINC000587001973 JG Annotated Anodyne COC(=O)c1cc2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc2cc1OC ZINC000587002055 JG Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 ZINC000587002626 JG Annotated Anodyne CN1CCN(c2ccc3nc(CCN4C(=O)COc5cc(Br)ccc54)[nH]c3c2)CC1 ZINC000587002690 JG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587002780 JG Annotated Anodyne COC(=O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1OC ZINC000587004132 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587004570 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587004572 JG Annotated Anodyne O=S(=O)(c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1)N1CCOCC1 ZINC000587005373 JG Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1)N1CCOCC1 ZINC000587005997 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc12 ZINC000587006010 JG Annotated Anodyne O=S(=O)(c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1)N1CCOCC1 ZINC000587006554 JG Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c12 ZINC000587007128 JG Annotated Anodyne NNC(=O)c1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1 ZINC000587008387 JG Annotated Reactive CC(C)(NC(=O)CCl)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587009440 JG Annotated Reactive O=C(O)[C@H]1[C@@H](c2nc3c(O)nc(O)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010349 JG Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3c(O)nc(O)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010350 JG Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(O)nc(O)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010351 JG Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3c(O)nc(O)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010352 JG Annotated Anodyne Nc1nc(O)c2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2n1 ZINC000587010901 JG Annotated Anodyne Nc1nc(O)c2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2n1 ZINC000587010905 JG Annotated Anodyne Nc1nc(O)c2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2n1 ZINC000587010906 JG Annotated Anodyne Nc1nc(O)c2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2n1 ZINC000587010908 JG Annotated Anodyne N=c1[nH]cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc-2[nH]1 ZINC000587011027 JG Annotated Anodyne N=c1[nH]cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc-2[nH]1 ZINC000587011028 JG Annotated Anodyne N=c1[nH]cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc-2[nH]1 ZINC000587011029 JG Annotated Anodyne N=c1[nH]cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc-2[nH]1 ZINC000587011030 JG Annotated Anodyne O=S(=O)(c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1)N1CCOCC1 ZINC000587011778 JG Annotated Anodyne O=C(c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587013322 JG Annotated Anodyne O=C(c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587017072 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 ZINC000587017618 JG Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3csc(O)n3)nc1-2 ZINC000587017958 JG Annotated Anodyne O=S(=O)(c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1)N1CCOCC1 ZINC000587018201 JG Annotated Anodyne O=S(=O)(c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1)N1CCOCC1 ZINC000587018299 JG Annotated Anodyne O=C(c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587018348 JG Annotated Anodyne CC1=C(c2ccc3nc(Cc4csc(NC(=O)c5cccc(O)c5)n4)[nH]c3c2)NNC(=O)C1 ZINC000587019613 JG Annotated Anodyne N#Cc1ncc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)s1 ZINC000587020741 JG Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc(-c4cnc(C#N)s4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587022723 JG Annotated Mild CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cccc(I)c3[nH]2)s1 ZINC000587023474 JG Annotated Anodyne O=C(CCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023517 JG Annotated Anodyne O=C(CCc1nc2cc(I)cnc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023779 JG Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)s1 ZINC000587023858 JG Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)s1 ZINC000587024037 JG Annotated Anodyne O=C(CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)Nc1nnc(-c2ccncc2)s1 ZINC000587024058 JG Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(I)cc3[nH]2)s1 ZINC000587024178 JG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3nnc(NC(=O)OC(C)(C)C)s3)nc2c1 ZINC000587024235 JG Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)s1 ZINC000587024283 JG Annotated Bother CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)s1 ZINC000587024338 JG Annotated Bother CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(I)cnc(Cl)c3[nH]2)s1 ZINC000587024370 JG Annotated Anodyne O=C(CCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)Nc1nnc(-c2ccncc2)s1 ZINC000587024374 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1 ZINC000587024985 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](N)c4ccsc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587028147 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](N)c4ccsc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587028153 JG Annotated Anodyne O=C(c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587028981 JG Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](N)Cc3cscn3)nc1-2 ZINC000587029963 JG Annotated Anodyne O=S(=O)(c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1)N1CCOCC1 ZINC000587030010 JG Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cncc([N+](=O)[O-])c4[nH]3)ccc2s1 ZINC000587033184 JG Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(S)nc(S)nc4[nH]3)ccc2s1 ZINC000587033593 JG Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(S(=O)(=O)O)cc4[nH]3)ccc2s1 ZINC000587033596 JG Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(-n5cnnn5)cc4[nH]3)ccc2s1 ZINC000587033711 JG Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(C(=O)OC)nc4[nH]3)ccc2s1 ZINC000587034110 JG Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(C(N)=O)cc4[nH]3)ccc2s1 ZINC000587034117 JG Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc(C(N)=O)c4[nH]3)ccc2s1 ZINC000587034267 JG Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc5c(cc4[nH]3)OCC(=O)N5)ccc2s1 ZINC000587034428 JG Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc([N+](=O)[O-])cnc4[nH]3)ccc2s1 ZINC000587034597 JG Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C(=O)OC)ncc4[nH]3)ccc2s1 ZINC000587034712 JG Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(C(=O)OC)ccnc4[nH]3)ccc2s1 ZINC000587034713 JG Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(C(=N)N)cc4[nH]3)ccc2s1 ZINC000587034823 JG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(I)cnc4[nH]3)cc12 ZINC000587036811 JG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(I)cnc4[nH]3)cc12 ZINC000587036812 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1 ZINC000587038393 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1 ZINC000587038394 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1 ZINC000587039052 JG Annotated Anodyne Cc1c(F)ccc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c12 ZINC000587039439 JG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 ZINC000587039515 JG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 ZINC000587039518 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1 ZINC000587039561 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1 ZINC000587039571 JG Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cccc(Cl)c2[nH]1 ZINC000587040040 JG Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nc2c1 ZINC000587040732 JG Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587040868 JG Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2ccc(Cl)cc2[nH]1 ZINC000587040890 JG Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)C1=O ZINC000587041410 JG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)C1=O ZINC000587041414 JG Annotated Mild CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000587041564 JG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000587041565 JG Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)C1=O ZINC000587042392 JG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)C1=O ZINC000587042395 JG Annotated Mild O=C(c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587044353 JG Annotated Anodyne O=C1CSC[C@@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)N1 ZINC000587044545 JG Annotated Anodyne O=C1CSC[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)N1 ZINC000587044546 JG Annotated Anodyne Cc1cc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c2cc1C ZINC000587044997 JG Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nc12 ZINC000587045014 JG Annotated Anodyne CCc1ccc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c2c1 ZINC000587045390 JG Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2ccc3ncccc3c2[nH]1 ZINC000587045424 JG Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587045526 JG Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587045772 JG Annotated Anodyne C=CCc1cccc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c12 ZINC000587045811 JG Annotated Mild Cc1cc(C)c2[nH]c([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nc2c1 ZINC000587046015 JG Annotated Anodyne CSc1ccc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c2c1 ZINC000587046039 JG Annotated Anodyne Cc1ccc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c2c1C ZINC000587046053 JG Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cnc3ccccc3c2[nH]1 ZINC000587046101 JG Annotated Anodyne Cc1cc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c2cc1F ZINC000587046149 JG Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587048421 JG Annotated Anodyne O=C(c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587049103 JG Annotated Bother O=C(c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587049109 JG Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587051466 JG Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587051473 JG Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587053349 JG Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587053350 JG Annotated Bother CCN1C(=O)C[C@@H](c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061947 JG Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062421 JG Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063269 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc12 ZINC000587064113 JG Annotated Anodyne Cc1nn(-c2cccc(-c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)c2)c(C)c1Cl ZINC000587065265 JG Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587066093 JG Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587068891 JG Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587068892 JG Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587075041 JG Annotated Anodyne Cc1c(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075795 JG Annotated Anodyne Cc1c(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076295 JG Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587076619 JG Annotated Anodyne O=S(=O)(c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1)N1CCOCC1 ZINC000587077066 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2c1 ZINC000587078773 JG Annotated Bother Cc1onc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079097 JG Annotated Bother Cc1onc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079223 JG Annotated Bother CC1=C(c2ccc3[nH]c(-c4noc(C)c4Cn4cc(Cl)c([N+](=O)[O-])n4)nc3c2)NNC(=O)C1 ZINC000587079262 JG Annotated Bother CCCCNS(=O)(=O)c1ccc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2c1 ZINC000587079793 JG Annotated Bother Cc1onc(-c2nc3ncc(I)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587081053 JG Annotated Bother Nc1ncc(Cl)nc1-c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587087382 JG Annotated Anodyne N#Cc1nc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2nc1C#N ZINC000587088063 JG Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587088953 JG Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(O)nc(O)nc5[nH]4)(C3)C1)C2 ZINC000587089159 JG Annotated Anodyne COC(=O)c1cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)nc2cc1OC ZINC000587089241 JG Annotated Mild CC1=C(c2ccc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000587089579 JG Annotated Mild COC(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c1OC ZINC000587089632 JG Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587089815 JG Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CC1 ZINC000587091431 JG Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(-n4cnnn4)cc3[nH]2)CC1 ZINC000587092163 JG Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cccc(S(N)(=O)=O)c3[nH]2)CC1 ZINC000587092221 JG Annotated Anodyne O=C(c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587092783 JG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C(F)(F)F)n1 ZINC000587094060 JG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C(F)(F)F)n1 ZINC000587094061 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 ZINC000587094148 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 ZINC000587094149 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 ZINC000587094416 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 ZINC000587094420 JG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(I)cnc3[nH]2)C(F)(F)F)n1 ZINC000587094674 JG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(I)cnc3[nH]2)C(F)(F)F)n1 ZINC000587094675 JG Annotated Anodyne CCOC(=O)c1nnn(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1C(=O)OCC ZINC000587104779 JG Annotated Anodyne CN1C=N[C@H]2[C@@H]1C(=O)N(CCCCc1cc3c4c(cccc4n1)C(=O)c1ccccc1-3)C(=O)N2C ZINC000587105486 JG Annotated Anodyne CN1C(=O)N(CCCCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(=O)[C@H]2[C@H]1N=CN2C ZINC000587105487 JG Annotated Anodyne CN1C=N[C@H]2[C@H]1C(=O)N(CCCCc1cc3c4c(cccc4n1)C(=O)c1ccccc1-3)C(=O)N2C ZINC000587105488 JG Annotated Anodyne CN1C=N[C@@H]2[C@H]1C(=O)N(CCCCc1cc3c4c(cccc4n1)C(=O)c1ccccc1-3)C(=O)N2C ZINC000587105489 JG Annotated Anodyne Cc1nc2cccc3c2c(c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O)-c1ccccc1C3=O ZINC000587106916 JG Annotated Anodyne Cc1nc2cccc3c2c(c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O)-c1ccccc1C3=O ZINC000587106919 JG Annotated Anodyne Cc1nc2cccc3c2c(c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O)-c1ccccc1C3=O ZINC000587106922 JG Annotated Anodyne Cc1nc2cccc3c2c(c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O)-c1ccccc1C3=O ZINC000587106926 JG Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4CCCN4S(=O)(=O)c4ccccc4C(F)(F)F)nc3cc2N1 ZINC000587108708 JG Annotated Anodyne O=C1COc2cc3[nH]c([C@H]4CCCN4S(=O)(=O)c4ccccc4C(F)(F)F)nc3cc2N1 ZINC000587108709 JG Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587109583 JG Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587109584 JG Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587109721 JG Annotated Bother Oc1nc(NCc2ccccc2)c2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc-2[nH]1 ZINC000587111134 JG Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587112310 JG Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587112322 JG Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587112388 JG Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587112398 JG Annotated Anodyne Nc1nc(O)c2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2n1 ZINC000587112651 JG Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(I)cnc4[nH]3)n2)cc1 ZINC000587113383 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587113897 JG Annotated Anodyne CC1=C(c2ccc3nc(Cn4nnc(-c5ccc(C(F)(F)F)cc5)n4)[nH]c3c2)NNC(=O)C1 ZINC000587114276 JG Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587114413 JG Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587114414 JG Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4nc(N)nc(Cl)c4[nH]3)cc2)c1C(F)(F)F ZINC000587115241 JG Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(O)nc(S)nc4[nH]3)cc2)c1C(F)(F)F ZINC000587115336 JG Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4nc(C#N)c(C#N)[nH]c-4n3)cc2)c1C(F)(F)F ZINC000587115494 JG Annotated Mild O=C(c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587116010 JG Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1)N1CCOCC1 ZINC000587116174 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587116941 JG Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(I)cnc2[nH]1 ZINC000587117357 JG Annotated Bother FC(F)(F)c1ccn(Cc2cc(-c3nc4ncc(I)cc4[nH]3)no2)n1 ZINC000587117755 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587118442 JG Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587118445 JG Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587119169 JG Annotated Bother NS(=O)(=O)c1cccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 ZINC000587119451 JG Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587119600 JG Annotated Anodyne Cc1nc2[nH]c(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)nc2cc1Br ZINC000587120643 JG Annotated Anodyne O=S(=O)(c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1)N1CCOCC1 ZINC000587120849 JG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587120945 JG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)nc2c1 ZINC000587121046 JG Annotated Anodyne Cc1c(Br)cnc2[nH]c(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)nc12 ZINC000587121061 JG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587121080 JG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587121098 JG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587121180 JG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587121199 JG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587121255 JG Annotated Anodyne Cc1cc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125373 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(COC(F)(F)F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587126714 JG Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2c1 ZINC000587126972 JG Annotated Anodyne O=C(O)c1cc(Br)cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 ZINC000587127594 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2c1 ZINC000587127757 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5nc(Br)c[nH]c-5n4)nc3n2)cn1 ZINC000587127768 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C#N)c(C#N)cc5[nH]4)nc3n2)cn1 ZINC000587127822 JG Annotated Mild CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(OC)c(C(=O)OC)cc5[nH]4)nc3n2)cn1 ZINC000587127859 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2c1 ZINC000587128028 JG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 ZINC000587128189 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc([C@@H](N)N=O)cc5[nH]4)nc3n2)cn1 ZINC000587128266 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc([C@H](N)N=O)cc5[nH]4)nc3n2)cn1 ZINC000587128268 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C(=O)N(C)C)cc5[nH]4)nc3n2)cn1 ZINC000587128375 JG Annotated Anodyne Cn1nnc(-c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)c1C(F)F ZINC000587128419 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C(=O)O)c(F)cc5[nH]4)nc3n2)cn1 ZINC000587128829 JG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cnc5ncnn5c4C(F)F)[nH]c3c2)cc1 ZINC000587128865 JG Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(O)ncnc5[nH]4)c3n2)cnn1C ZINC000587128882 JG Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cnnc(O)c5[nH]4)c3n2)cnn1C ZINC000587128895 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(F)cc(C(=O)O)c5[nH]4)nc3n2)cn1 ZINC000587128957 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc6c(cc5[nH]4)OCO6)nc3n2)cn1 ZINC000587128997 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc(C(=O)O)c5[nH]4)nc3n2)cn1 ZINC000587129043 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(CCO)cc5[nH]4)nc3n2)cn1 ZINC000587129152 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cnc(C(F)(F)F)[nH]c-5n4)nc3n2)cn1 ZINC000587129449 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc(C(=O)OC)c5[nH]4)nc3n2)cn1 ZINC000587129617 JG Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(C(=O)NN)cc5[nH]4)c3n2)cnn1C ZINC000587129817 JG Annotated Reactive Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c[nH]c(=N)[nH]c-5n4)c3n2)cnn1C ZINC000587129856 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C(=O)OC)c(OC)c5[nH]4)nc3n2)cn1 ZINC000587130090 JG Annotated Anodyne Cn1nc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130327 JG Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(N)ncnc5[nH]4)c3n2)cnn1C ZINC000587130533 JG Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5nc(C#N)c(C#N)nc5[nH]4)c3n2)cnn1C ZINC000587130846 JG Annotated Mild Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(O)nc(O)nc5[nH]4)c3n2)cnn1C ZINC000587130861 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C(=O)OC)cc5[nH]4)nc3n2)cn1 ZINC000587130929 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(S(C)(=O)=O)cc5[nH]4)nc3n2)cn1 ZINC000587130948 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc6c(cc5[nH]4)NC(=O)CC6)nc3n2)cn1 ZINC000587131049 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc([N+](=O)[O-])c([N+](=O)[O-])cc5[nH]4)nc3n2)cn1 ZINC000587131157 JG Annotated Bother CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc6nc(O)[nH]c6cc5[nH]4)nc3n2)cn1 ZINC000587131167 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C(=O)O)cc5[nH]4)nc3n2)cn1 ZINC000587131211 JG Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)ccc1OC(F)F ZINC000587131369 JG Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)ccc1OC(F)F ZINC000587131370 JG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc6c(cc5[nH]4)OCCO6)nc3n2)cn1 ZINC000587131409 JG Annotated Anodyne O=C(c1nc2cc(S(=O)(=O)N3CCOCC3)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587132880 JG Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587133818 JG Annotated Bother O=S(=O)(NCc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587133893 JG Annotated Anodyne O=C(c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587133957 JG Annotated Anodyne O=C(c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587133958 JG Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587134088 JG Annotated Bother O=S(=O)(NCc1nc2ccc(I)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134302 JG Annotated Anodyne O=S(=O)(NCc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134387 JG Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134643 JG Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1)N1CCOCC1 ZINC000587134891 JG Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1)N1CCOCC1 ZINC000587134892 JG Annotated Anodyne O=S(=O)(NCc1nc2cccc(I)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134926 JG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2c1 ZINC000587134933 JG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2c1 ZINC000587135002 JG Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3ccc(Cl)nc3[nH]2)c1F)N1CCOCC1 ZINC000587136082 JG Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c21 ZINC000587136273 JG Annotated Clean Nc1cc(F)c(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1N ZINC000587136278 JG Annotated Anodyne O=C(c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587136292 JG Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3c(Cl)ccnc3[nH]2)c1F)N1CCOCC1 ZINC000587136378 JG Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3ccnc(Cl)c3[nH]2)c1F)N1CCOCC1 ZINC000587136425 JG Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(Cl)ncc3[nH]2)c1F)N1CCOCC1 ZINC000587136905 JG Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(Cl)cnc3[nH]2)c1F)N1CCOCC1 ZINC000587137185 JG Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cncc(Cl)c3[nH]2)c1F)N1CCOCC1 ZINC000587137341 JG Annotated Anodyne N#Cc1cccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c12 ZINC000587138882 JG Annotated Mild O=S(=O)(c1cc(Br)cc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1F)N1CCOCC1 ZINC000587138885 JG Annotated Anodyne COc1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c1 ZINC000587138891 JG Annotated Anodyne N#Cc1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c1 ZINC000587138896 JG Annotated Mild Cc1cc2[nH]c(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)nc2cc1[N+](=O)[O-] ZINC000587138903 JG Annotated Bother O=[N+]([O-])c1cccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c12 ZINC000587138975 JG Annotated Bother CC(=O)c1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c1 ZINC000587138979 JG Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c1 ZINC000587139035 JG Annotated Bother O=S(=O)(c1cc(Br)cc(-c2nc3ccc(F)cc3[nH]2)c1F)N1CCOCC1 ZINC000587139046 JG Annotated Anodyne Cc1cc2[nH]c(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)nc2c(C)n1 ZINC000587139063 JG Annotated Anodyne Cc1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c1 ZINC000587139064 JG Annotated Anodyne COc1cccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c12 ZINC000587139418 JG Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1F)N1CCOCC1 ZINC000587139618 JG Annotated Anodyne COc1cc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2cc1C ZINC000587139634 JG Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(F)c(F)cc3[nH]2)c1F)N1CCOCC1 ZINC000587139851 JG Annotated Anodyne COc1cc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2cc1F ZINC000587139889 JG Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3ccc(F)c(F)c3[nH]2)c1F)N1CCOCC1 ZINC000587139913 JG Annotated Anodyne Cc1cccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c12 ZINC000587139990 JG Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc(F)cc(F)c3[nH]2)c1F)N1CCOCC1 ZINC000587140275 JG Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cccc(F)c3[nH]2)c1F)N1CCOCC1 ZINC000587140292 JG Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1)c1cc(F)ccc1F ZINC000587141070 JG Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587141496 JG Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587141497 JG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(O)nc(N)nc2[nH]1 ZINC000587141870 JG Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587141896 JG Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587141897 JG Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cccc(S(N)(=O)=O)c4[nH]3)cc2)cc1F ZINC000587148029 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587148054 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587148064 JG Annotated Anodyne O=C1C[C@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CN1Cc1ccc(F)cc1F ZINC000587148211 JG Annotated Anodyne O=C1C[C@@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CN1Cc1ccc(F)cc1F ZINC000587148213 JG Annotated Anodyne O=C1C[C@H](c2nc3cc(I)cnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149674 JG Annotated Anodyne O=C1C[C@@H](c2nc3cc(I)cnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149675 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587150942 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587150943 JG Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(-n5cnnn5)cc4[nH]3)o2)c1 ZINC000587158516 JG Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587163751 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 ZINC000587164285 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587168437 JG Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2nc(Br)c[nH]c-2n1)c1ccc(F)cc1 ZINC000587169659 JG Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2nc(Br)c[nH]c-2n1)c1ccc(F)cc1 ZINC000587169660 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587169856 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587170778 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587170784 JG Annotated Anodyne CN(Cc1nc2c(I)cnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170879 JG Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587170900 JG Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587170903 JG Annotated Anodyne CN(Cc1nc2c(Br)cnc(Br)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171008 JG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc2c1 ZINC000587171412 JG Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587171441 JG Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587171442 JG Annotated Anodyne O=c1c(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587172019 JG Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(O)nc(S)nc4[nH]2)cn3C2CC2)C1 ZINC000587172371 JG Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(O)nc(S)nc4[nH]2)cn3C2CC2)C1 ZINC000587172373 JG Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(-n5cnnn5)cc4[nH]2)cn3C2CC2)C1 ZINC000587172598 JG Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(-n5cnnn5)cc4[nH]2)cn3C2CC2)C1 ZINC000587172605 JG Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])cnc4[nH]2)cn3C2CC2)CC1 ZINC000587172652 JG Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(-n5cnnn5)cc4[nH]2)cn3C2CC2)CC1 ZINC000587172691 JG Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cncc([N+](=O)[O-])c4[nH]2)cn3C2CC2)CC1 ZINC000587172848 JG Annotated Bother N=c1[nH]c2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc-2c(Cl)[nH]1 ZINC000587173418 JG Annotated Anodyne N=c1[nH]c2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc-2c(Cl)[nH]1 ZINC000587173419 JG Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cccnc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176742 JG Annotated Anodyne COc1cncc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c12 ZINC000587176873 JG Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(N)c(N)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177015 JG Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(F)cnc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177074 JG Annotated Anodyne COc1ccc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2n1 ZINC000587177142 JG Annotated Anodyne COc1nccc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c12 ZINC000587177250 JG Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccnc(O)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177314 JG Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cnccc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177327 JG Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(CO)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177346 JG Annotated Anodyne COc1cc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2cn1 ZINC000587177480 JG Annotated Anodyne Nc1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cn1 ZINC000587178456 JG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(I)cnc2[nH]1 ZINC000587178474 JG Annotated Anodyne Nc1ccnc2[nH]c(-c3ccc(I)c(I)c3)nc12 ZINC000587178502 JG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587178662 JG Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3ccc(I)c(I)c3)nc12 ZINC000587178724 JG Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3cc(I)ccc3I)nc12 ZINC000587178744 JG Annotated Anodyne Nc1nccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178952 JG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587179075 JG Annotated Anodyne N=c1[nH]c2nc(-c3ccc(I)c(I)c3)nc-2c(Cl)[nH]1 ZINC000587179187 JG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587179217 JG Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(I)c(N)cc3OC)nc2cc1OC ZINC000587179225 JG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587179309 JG Annotated Bother COC(=O)c1ccc2nc(-c3cc(I)c(N)cc3OC)[nH]c2c1OC ZINC000587179320 JG Annotated Anodyne Nc1cc2nc(-c3cc(I)ccc3I)[nH]c2cn1 ZINC000587179370 JG Annotated Anodyne Cn1nc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(I)c1C(=O)O ZINC000587179383 JG Annotated Anodyne Cc1cc(Br)cc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c12 ZINC000587179389 JG Annotated Anodyne N=c1[nH]c2nc(-c3cc(I)ccc3I)nc-2c(Cl)[nH]1 ZINC000587179392 JG Annotated Anodyne Nc1ccnc2[nH]c(-c3cc(I)ccc3I)nc12 ZINC000587179424 JG Annotated Anodyne Nc1nccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179509 JG Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(C(F)(F)F)cc(F)cc2[nH]1 ZINC000587179531 JG Annotated Anodyne Cc1cc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2cc1Br ZINC000587179574 JG Annotated Anodyne Cn1nc(-c2nc3cc(Br)c(F)cc3[nH]2)c(I)c1C(=O)O ZINC000587179626 JG Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 ZINC000587179634 JG Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 ZINC000587179637 JG Annotated Anodyne Cc1cc(Br)c2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c2c1 ZINC000587179641 JG Annotated Anodyne Cc1c(Br)ccc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc12 ZINC000587179648 JG Annotated Anodyne Cn1nc(-c2nc3ccc(Br)c(F)c3[nH]2)c(I)c1C(=O)O ZINC000587179872 JG Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc12 ZINC000587179880 JG Annotated Anodyne Cn1nc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(I)c1C(=O)O ZINC000587179895 JG Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(F)cc(Br)cc2[nH]1 ZINC000587179910 JG Annotated Anodyne Cc1cc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2cc1Br ZINC000587179930 JG Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587179981 JG Annotated Bother Cc1cc(Br)c2[nH]c(-c3nn(C)c(C(=O)O)c3I)nc2c1 ZINC000587180098 JG Annotated Anodyne Cn1nc(-c2nc3cc(Br)cc(F)c3[nH]2)c(I)c1C(=O)O ZINC000587180100 JG Annotated Anodyne COc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(I)c1 ZINC000587180110 JG Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(Br)c(F)ccc2[nH]1 ZINC000587180117 JG Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2ncc(Br)c(Cl)c2[nH]1 ZINC000587180132 JG Annotated Anodyne Cn1nc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(I)c1C(=O)O ZINC000587180141 JG Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(F)c(Br)ccc2[nH]1 ZINC000587180142 JG Annotated Anodyne Cc1c(Br)ccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c12 ZINC000587180194 JG Annotated Anodyne Cn1nc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(I)c1C(=O)O ZINC000587180355 JG Annotated Anodyne Cn1nc(-c2nc3ccc(F)c(Br)c3[nH]2)c(I)c1C(=O)O ZINC000587180365 JG Annotated Anodyne Cn1nc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(I)c1C(=O)O ZINC000587180369 JG Annotated Anodyne Cn1nc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(I)c1C(=O)O ZINC000587180379 JG Annotated Mild Cn1nc(C(=O)O)c(I)c1-c1nc2cc(F)c(Br)cc2[nH]1 ZINC000587180444 JG Annotated Anodyne Cn1nc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(I)c1C(=O)O ZINC000587180486 JG Annotated Anodyne Cn1nc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(I)c1C(=O)O ZINC000587180505 JG Annotated Anodyne Cn1nc(-c2nc3cc(F)cc(Br)c3[nH]2)c(I)c1C(=O)O ZINC000587180536 JG Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(Cl)ncc(Br)c2[nH]1 ZINC000587180636 JG Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(F)c(F)c(Br)cc2[nH]1 ZINC000587180639 JG Annotated Anodyne Cn1nc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(I)c1C(=O)O ZINC000587180680 JG Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(Br)cc(F)cc2[nH]1 ZINC000587180681 JG Annotated Anodyne Cn1nc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(I)c1C(=O)O ZINC000587180688 JG Annotated Bother Cn1nc(C(=O)O)c(I)c1-c1nc2cc(C(F)(F)F)c(C#N)cc2[nH]1 ZINC000587180761 JG Annotated Mild CC[C@H](C)n1ncc(I)c1-c1nc2c(S(=O)(=O)N(C)C)cccc2[nH]1 ZINC000587181426 JG Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(S(=O)(=O)N(C)C)cccc2[nH]1 ZINC000587181429 JG Annotated Anodyne Cn1nc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(I)c1C(=O)O ZINC000587181436 JG Annotated Clean Cn1nc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(I)c1C(=O)O ZINC000587181556 JG Annotated Anodyne Cn1nc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(I)c1C(=O)O ZINC000587181588 JG Annotated Bother Cn1nc(C(=O)O)c(I)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587181625 JG Annotated Bother Cn1nc(C(=O)O)c(I)c1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O ZINC000587181688 JG Annotated Clean CC1=C(c2ccc3nc([C@@H](C)n4ncc(I)c4C)[nH]c3c2)NNC(=O)C1 ZINC000587181709 JG Annotated Anodyne CC1=C(c2ccc3nc([C@H](C)n4ncc(I)c4C)[nH]c3c2)NNC(=O)C1 ZINC000587181710 JG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587181793 JG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587181794 JG Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4nc(O)nc(O)c4I)[nH]c3c2)cc1 ZINC000587181799 JG Annotated Clean CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2c1 ZINC000587181889 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c2c1 ZINC000587181890 JG Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)n1 ZINC000587181915 JG Annotated Bother Oc1nc(O)c(I)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)n1 ZINC000587182115 JG Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)n1 ZINC000587182134 JG Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)n1 ZINC000587182204 JG Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2c1 ZINC000587182222 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c2c1 ZINC000587182224 JG Annotated Anodyne Cc1c(Br)cc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1C ZINC000587182262 JG Annotated Anodyne CSc1sc(-c2nc3cnnc(O)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182374 JG Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)n1 ZINC000587182453 JG Annotated Anodyne CSc1sc(-c2nc3c(N)ncnc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182603 JG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(I)cnc2[nH]1 ZINC000587182721 JG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(I)cnc2[nH]1 ZINC000587182727 JG Annotated Anodyne CSc1sc(-c2nc3c(O)ncnc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182746 JG Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587182769 JG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587183113 JG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587183115 JG Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)n1 ZINC000587183410 JG Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587183561 JG Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587183563 JG Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](N)Cc3ccc(I)cc3)nc2cc1OC ZINC000587183641 JG Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc2cc1OC ZINC000587183642 JG Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000587183657 JG Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000587183658 JG Annotated Anodyne CC[C@H](c1nc2ccc(C(=O)OC)c(OC)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184069 JG Annotated Anodyne CC[C@@H](c1nc2ccc(C(=O)OC)c(OC)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184070 JG Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1)N1CCOCC1 ZINC000587184108 JG Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1)N1CCOCC1 ZINC000587184111 JG Annotated Anodyne COC(=O)c1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2c1OC ZINC000587184199 JG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2c1OC ZINC000587184200 JG Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2c1C ZINC000587184259 JG Annotated Anodyne Cc1cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2cc1Br ZINC000587184310 JG Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)n1 ZINC000587184520 JG Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1 ZINC000587184553 JG Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc(F)c(Br)c3[nH]2)cc1I ZINC000587184595 JG Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(Br)c(F)cc3[nH]2)cc1I ZINC000587184850 JG Annotated Anodyne N#Cc1cc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2cc1C(F)(F)F ZINC000587184885 JG Annotated Mild N#Cc1cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2cc1C(F)(F)F ZINC000587184897 JG Annotated Mild O=C(O)Cn1cc(I)c(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)n1 ZINC000587184906 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2c1 ZINC000587184921 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2c1 ZINC000587184922 JG Annotated Anodyne O=C(O)c1nn(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1I ZINC000587184932 JG Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(F)cc(Br)cc3[nH]2)n1 ZINC000587184941 JG Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1I ZINC000587184973 JG Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1I ZINC000587184977 JG Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(Br)cc(F)c3[nH]2)cc1I ZINC000587185266 JG Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)n1 ZINC000587185272 JG Annotated Bother O=C(O)c1nn(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1I ZINC000587185314 JG Annotated Bother O=C(O)c1nn(Cc2nc3ccc(Br)c(F)c3[nH]2)cc1I ZINC000587185317 JG Annotated Anodyne CC[C@@H](c1nc2cc(OC)c(C(=O)OC)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185324 JG Annotated Anodyne Cc1cc(Br)c2nc(-c3nn(CC(=O)O)cc3I)[nH]c2c1 ZINC000587185325 JG Annotated Anodyne CC[C@H](c1nc2cc(OC)c(C(=O)OC)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185326 JG Annotated Anodyne Nc1ccc(Oc2ccc3nc(Cn4cc(I)c(C(=O)O)n4)[nH]c3c2)cc1 ZINC000587185389 JG Annotated Clean Cc1cc(Br)cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12 ZINC000587185533 JG Annotated Anodyne CC[C@H](c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185644 JG Annotated Anodyne CC[C@@H](c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185645 JG Annotated Anodyne Cc1cc(Br)c2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc2c1 ZINC000587185724 JG Annotated Anodyne Cc1cc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2cc1Br ZINC000587185753 JG Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587185781 JG Annotated Bother N[C@H](Cc1ccc(I)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587185788 JG Annotated Bother CC[C@@H](c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185838 JG Annotated Anodyne CC[C@H](c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185852 JG Annotated Anodyne CC[C@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185864 JG Annotated Bother Cc1c(Br)ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12 ZINC000587185870 JG Annotated Anodyne CC[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185872 JG Annotated Bother O=C(O)Cn1cc(I)c(-c2nc3c(Br)cc(F)cc3[nH]2)n1 ZINC000587185903 JG Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(F)c(Br)ccc3[nH]2)n1 ZINC000587185936 JG Annotated Anodyne CC1=C(c2ccc3nc([C@@H](N)Cc4ccc(I)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587185965 JG Annotated Anodyne CC1=C(c2ccc3nc([C@H](N)Cc4ccc(I)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587185968 JG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3nccnc3I)nc2c1 ZINC000587186060 JG Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(F)c(F)c(Br)cc3[nH]2)n1 ZINC000587186147 JG Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(F)cc(Br)c3[nH]2)cc1I ZINC000587186148 JG Annotated Anodyne Cc1c(Br)cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1C ZINC000587186230 JG Annotated Anodyne Cc1c(Br)ccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc12 ZINC000587186235 JG Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)n1 ZINC000587186254 JG Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)n1 ZINC000587186393 JG Annotated Bother O=C(O)c1nn(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1I ZINC000587186401 JG Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(OC(F)(F)F)cccc3[nH]2)n1 ZINC000587186458 JG Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc(F)c(Br)cc3[nH]2)n1 ZINC000587186461 JG Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1I ZINC000587186467 JG Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(Br)c(F)ccc3[nH]2)n1 ZINC000587186469 JG Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3nn(CC(=O)O)cc3I)nc12 ZINC000587186537 JG Annotated Anodyne O=C(O)c1nn(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1I ZINC000587186573 JG Annotated Bother O=C(O)c1nn(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1I ZINC000587186588 JG Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587186591 JG Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587186592 JG Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3nccnc3I)[nH]c21 ZINC000587186618 JG Annotated Clean Clc1ncc(I)c2nc(-c3nccnc3I)[nH]c12 ZINC000587186917 JG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1[N+](=O)[O-] ZINC000587187105 JG Annotated Bother CC1=C(c2ccc3nc(-c4ccc5ncc(I)n5c4)[nH]c3c2)NNC(=O)C1 ZINC000587187480 JG Annotated Anodyne Ic1cnc2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587187868 JG Annotated Anodyne Ic1cnc2ccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cn12 ZINC000587188434 JG Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587191453 JG Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587191459 JG Annotated Anodyne C#CCN(Cc1nc2nc(C#N)c(C#N)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193182 JG Annotated Mild O=C(O)CCN(CCc1nc2cc(I)cnc2[nH]1)Cc1ccccc1 ZINC000587193421 JG Annotated Anodyne O=C(O)CCN(CCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)Cc1ccccc1 ZINC000587193569 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 ZINC000587193830 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587194155 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587194156 JG Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587194307 JG Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587194323 JG Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587194326 JG Annotated Anodyne CC(=O)c1ccc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c2c1 ZINC000587195066 JG Annotated Clean O=C(O)CN(Cc1nc2cc(F)c(F)cc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587195079 JG Annotated Clean O=C(O)CN(Cc1nc2ccc(Cl)cc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587195200 JG Annotated Clean O=C(O)CN(Cc1nc2cc(F)cc(F)c2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587195708 JG Annotated Clean O=C(O)CN(Cc1nc2ccc(F)c(F)c2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587195989 JG Annotated Clean Cc1cc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c2cc1F ZINC000587196024 JG Annotated Clean Cc1ccc(C)c2[nH]c(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)nc12 ZINC000587196090 JG Annotated Clean CCc1ccc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c2c1 ZINC000587196287 JG Annotated Clean Cc1ccc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c2c1 ZINC000587196381 JG Annotated Clean Cc1cccc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c12 ZINC000587196397 JG Annotated Clean Cc1cc(C)c2[nH]c(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)nc2c1 ZINC000587196416 JG Annotated Clean Cc1cc(F)c2[nH]c(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)nc2c1 ZINC000587196600 JG Annotated Clean Cc1c(F)ccc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c12 ZINC000587196663 JG Annotated Clean O=C(O)CN(Cc1nc2cccc(Cl)c2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587196720 JG Annotated Clean Cc1ccc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c2c1C ZINC000587196762 JG Annotated Clean CC(C)(C)OC(=O)N(Cc1nc2cc(I)cnc2[nH]1)C[C@H]1CCCO1 ZINC000587196782 JG Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(I)cnc2[nH]1)C[C@@H]1CCCO1 ZINC000587196783 JG Annotated Anodyne Cc1cc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c2cc1C ZINC000587196902 JG Annotated Clean CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587197897 JG Annotated Anodyne CC(C)[C@@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198204 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](C(C)C)N(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587198229 JG Annotated Anodyne CC(C)[C@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198356 JG Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587201121 JG Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587202734 JG Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587202736 JG Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c4c3)o2)cc1 ZINC000587202784 JG Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c4c3)o2)cc1 ZINC000587202787 JG Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587203133 JG Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587203135 JG Annotated Anodyne COC(=O)c1cc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587203855 JG Annotated Anodyne COC(=O)c1cc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587203857 JG Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587204286 JG Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587204287 JG Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587204746 JG Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587204747 JG Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587204950 JG Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587204951 JG Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C(C)(C)C ZINC000587205293 JG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C(C)(C)C ZINC000587205294 JG Annotated Anodyne C[C@@H]1CC2=C(c3nc4cccc5c4c(c31)CC5)[C@@H]1C(=O)c3cccc(O)c3[C@H](O)[C@]1(O)[C@@H](O)C2 ZINC000587216279 JG Annotated Anodyne C[C@@H]1CC2=C(c3nc4cccc5c4c(c31)CC5)[C@@H]1C(=O)c3cccc(O)c3[C@H](O)[C@]1(O)[C@H](O)C2 ZINC000587216280 JG Annotated Anodyne C[C@@H]1CC2=C(c3nc4cccc5c4c(c31)CC5)[C@@H]1C(=O)c3cccc(O)c3[C@H](O)[C@@]1(O)[C@@H](O)C2 ZINC000587216281 JG Annotated Anodyne C[C@@H]1CC2=C(c3nc4cccc5c4c(c31)CC5)[C@@H]1C(=O)c3cccc(O)c3[C@H](O)[C@@]1(O)[C@H](O)C2 ZINC000587216282 JG Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)[C@H]2C(=O)CCc3c2nc2cccc4c2c3CC4)c([N+](=O)[O-])c1 ZINC000587216356 JG Annotated Bother CS(=O)(=O)c1ccc(C(=O)[C@@H]2C(=O)CCc3c2nc2cccc4c2c3CC4)c([N+](=O)[O-])c1 ZINC000587216359 JG Annotated Bother CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587217050 JG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587217052 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)[nH]c2c1 ZINC000587218307 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)[nH]c2c1 ZINC000587218308 JG Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587218933 JG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587218937 JG Annotated Anodyne COc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1OCC(=O)NC(C)C ZINC000587220126 JG Annotated Anodyne CN[C@H](c1cccnc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587222958 JG Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587222959 JG Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C1CCCC1 ZINC000587225603 JG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C1CCCC1 ZINC000587225604 JG Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587225744 JG Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587225746 JG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2c1 ZINC000587225774 JG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2c1 ZINC000587225775 JG Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587227576 JG Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587227612 JG Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000587228689 JG Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(I)cnc3[nH]2)cc1 ZINC000587228829 JG Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)cc1 ZINC000587228893 JG Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000587229009 JG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587229467 JG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000587229878 JG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587230072 JG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587230073 JG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587230074 JG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587230075 JG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587230198 JG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 ZINC000587230543 JG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000587230549 JG Annotated Bother N#Cc1cccnc1NCc1cccc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1 ZINC000587230748 JG Annotated Mild COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587230872 JG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587230873 JG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587230874 JG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587230875 JG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587230891 JG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(Cl)c(Br)cnc3[nH]2)c1 ZINC000587230940 JG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000587231157 JG Annotated Bother COCCNC(=O)c1cccc(NC(=O)CCc2nc3cccc(I)c3[nH]2)c1 ZINC000587231204 JG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(I)cc3[nH]2)c1 ZINC000587231436 JG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587231583 JG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587231586 JG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587231591 JG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587231594 JG Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c12 ZINC000587231633 JG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587232252 JG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000587232457 JG Annotated Mild COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000587232523 JG Annotated Clean COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000587232540 JG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(I)cnc3[nH]2)CCC(=O)CC1 ZINC000587233810 JG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CCC(=O)CC1 ZINC000587234736 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1 ZINC000587234835 JG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587235756 JG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c1 ZINC000587237048 JG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CCC(O)CC1 ZINC000587237280 JG Annotated Anodyne N=c1[nH]cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc-2[nH]1 ZINC000587237308 JG Annotated Anodyne O=C(NC1(c2nc3c(O)nc(O)nc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237411 JG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(I)cnc3[nH]2)CCC(O)CC1 ZINC000587237799 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c1 ZINC000587237833 JG Annotated Anodyne Nc1nc(O)c2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2n1 ZINC000587237860 JG Annotated Anodyne Nc1ncnc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc12 ZINC000587238368 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 ZINC000587238666 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 ZINC000587238667 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 ZINC000587238669 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 ZINC000587238670 JG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240053 JG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240057 JG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240058 JG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240059 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c12 ZINC000587241058 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c12 ZINC000587241059 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c12 ZINC000587241060 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c12 ZINC000587241061 JG Annotated Anodyne Nc1cccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1C(=O)O ZINC000587248302 JG Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587248572 JG Annotated Anodyne Nc1cc(C(=O)O)cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587248744 JG Annotated Anodyne N[C@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CCOC1 ZINC000587248753 JG Annotated Bother N[C@@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CCOC1 ZINC000587248755 JG Annotated Bother Nc1cccc(O)c1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587249258 JG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1 ZINC000587250973 JG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4ccc(C(=O)O)cc4N)[nH]c3c2)cc1 ZINC000587251031 JG Annotated Anodyne COc1cncc(N)c1-c1nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c2[nH]1 ZINC000587252202 JG Annotated Anodyne Nc1ncccc1Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587253557 JG Annotated Anodyne Nc1ncc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(O)n1 ZINC000587253744 JG Annotated Bother Nc1cncc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587254714 JG Annotated Anodyne CC1(C)OC(=O)C(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)=C1N ZINC000587255070 JG Annotated Anodyne N[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C1COC1 ZINC000587255264 JG Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C3CCC(N)CC3)nc1-2 ZINC000587256479 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C4CCC(N)CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587256719 JG Annotated Anodyne COC(=O)CC[C@H](N)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587258322 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c12 ZINC000587258450 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](N)C(C)(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587258529 JG Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587260374 JG Annotated Anodyne CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587261328 JG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587261329 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587261456 JG Annotated Mild O=CC(C=O)c1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261689 JG Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587261908 JG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587261909 JG Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H]4C(=O)C[C@@H](C)[C@@H]4C[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587262248 JG Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H]4C(=O)C[C@H](C)[C@H]4C[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587262251 JG Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H]4C(=O)C[C@@H](C)[C@H]4C[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587262253 JG Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H]4C(=O)C[C@H](C)[C@@H]4C[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587262255 JG Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc2c1 ZINC000587262473 JG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(Br)cc(C(=O)O)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262475 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587262851 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587262853 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587262947 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587262948 JG Annotated Bother Cc1nc2[nH]c(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc2cc1Br ZINC000587262958 JG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4c(F)cnc(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263111 JG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccc(Br)c(O)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263335 JG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)CC2)ccc1[N+](=O)[O-] ZINC000587263401 JG Annotated Bother Cc1nc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2cc1Br ZINC000587263527 JG Annotated Bother Cc1nc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2cc1Br ZINC000587263528 JG Annotated Bother Cc1nc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2cc1Br ZINC000587263529 JG Annotated Bother Cc1nc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2cc1Br ZINC000587263530 JG Annotated Bother CCOC(=O)Cc1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1 ZINC000587263582 JG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263583 JG Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 ZINC000587263883 JG Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 ZINC000587263885 JG Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 ZINC000587263886 JG Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 ZINC000587263887 JG Annotated Bother Cc1c(Br)cnc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 ZINC000587263916 JG Annotated Bother Cc1c(Br)cnc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 ZINC000587263918 JG Annotated Bother Cc1c(Br)cnc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 ZINC000587263919 JG Annotated Bother Cc1c(Br)cnc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 ZINC000587263921 JG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587264002 JG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587264004 JG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587264005 JG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587264006 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587264342 JG Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](N)Cc4ccc(O)c([N+](=O)[O-])c4)[nH]c3c2)cc1 ZINC000587264595 JG Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587264768 JG Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587264816 JG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587264939 JG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587264941 JG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587264942 JG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587264947 JG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587265547 JG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587265548 JG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587265549 JG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587265550 JG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587265798 JG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587265804 JG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587265808 JG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587265815 JG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587266738 JG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587266739 JG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587266740 JG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587266741 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587267066 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587267069 JG Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267073 JG Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267339 JG Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)n4ncc([N+](=O)[O-])c4C)[nH]c3c2)cc1 ZINC000587267502 JG Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)n4ncc([N+](=O)[O-])c4C)[nH]c3c2)cc1 ZINC000587267503 JG Annotated Bother Nc1ncc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1[N+](=O)[O-] ZINC000587268304 JG Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(CNc4ncccc4[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587268542 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 ZINC000587268622 JG Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(I)cnc3[nH]2)CC1 ZINC000587268856 JG Annotated Bother N[C@@H](CCc1nc2cc(Br)c(F)c(F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587269518 JG Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(I)cnc(Cl)c4[nH]3)nn2)c1 ZINC000587269777 JG Annotated Bother N[C@@H](CCc1nc2c(Br)cnc(Cl)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270501 JG Annotated Bother N[C@@H](CCc1nc2c(Cl)c(Br)cnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270560 JG Annotated Bother N[C@@H](CCc1nc2c(Br)cnc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270841 JG Annotated Bother CC1=C(c2ccc3nc(C4CCN(C(=O)c5ccc([N+](=O)[O-])cc5)CC4)[nH]c3c2)NNC(=O)C1 ZINC000587270993 JG Annotated Bother N[C@@H](CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587271082 JG Annotated Bother N[C@@H](CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587271085 JG Annotated Bother N[C@@H](CCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587271193 JG Annotated Clean O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587271694 JG Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587271756 JG Annotated Bother COC(=O)c1ccc(Oc2ccc3nc([C@@H](O)[C@H](O)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c3c2)cc1 ZINC000587271773 JG Annotated Bother CC(C)Oc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000587271854 JG Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587272524 JG Annotated Bother CC(C)COc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000587272527 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587272836 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587272842 JG Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(CCCn4ccc([N+](=O)[O-])n4)[nH]c3c2)cc1 ZINC000587273135 JG Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587273201 JG Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587273311 JG Annotated Bother O=C(c1cc2ncc(Br)cn2n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587273527 JG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c3c2)cc1 ZINC000587273631 JG Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c3c2)cc1 ZINC000587273632 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000587273841 JG Annotated Bother O=C(c1nn2cccnc2c1Br)c1c(CO)oc2cc(Br)cnc12 ZINC000587274126 JG Annotated Anodyne C[C@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)n1cc([N+](=O)[O-])cn1 ZINC000587276041 JG Annotated Bother C[C@@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)n1cc([N+](=O)[O-])cn1 ZINC000587276042 JG Annotated Bother O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276110 JG Annotated Anodyne COc1ccc(S(=O)(=O)CCC(=O)c2c(CO)oc3cc(Br)cnc23)cc1 ZINC000587276123 JG Annotated Anodyne CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321719 JG Annotated Reactive CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321722 JG Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321726 JG Annotated Reactive CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321727 JG Annotated Reactive COC(=O)C[C@H](Br)[C@]1(C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324255 JG Annotated Reactive COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324257 JG Annotated Reactive COC(=O)C[C@H](Br)[C@]1(C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324259 JG Annotated Reactive COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324260 JG Annotated Reactive NC(=O)CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)ccc21 ZINC000587326574 JG Annotated Anodyne NC(=O)CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)ccc21 ZINC000587326579 JG Annotated Anodyne NC(=O)CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)ccc21 ZINC000587326583 JG Annotated Anodyne NC(=O)CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)ccc21 ZINC000587326587 JG Annotated Anodyne CCOC(=O)C(=O)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332312 JG Annotated Anodyne CCOC(=O)C(=O)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332315 JG Annotated Anodyne CCOC(=O)C(=O)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332318 JG Annotated Anodyne CCOC(=O)C(=O)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332320 JG Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333843 JG Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333854 JG Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333856 JG Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333859 JG Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336607 JG Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336620 JG Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336627 JG Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336631 JG Annotated Anodyne COC(=O)[C@]1(CN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338431 JG Annotated Anodyne COC(=O)[C@@]1(CN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338437 JG Annotated Anodyne COC(=O)[C@]1(CN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338441 JG Annotated Anodyne COC(=O)[C@@]1(CN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338457 JG Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587339913 JG Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587339915 JG Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587339917 JG Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587339918 JG Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340391 JG Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340393 JG Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340395 JG Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340397 JG Annotated Anodyne CCn1cc([C@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587341024 JG Annotated Anodyne CCn1cc([C@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587341029 JG Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587341032 JG Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587341038 JG Annotated Anodyne Cc1nn(C)cc1[C@@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341220 JG Annotated Anodyne Cc1nn(C)cc1[C@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341231 JG Annotated Anodyne Cc1nn(C)cc1[C@@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341235 JG Annotated Anodyne Cc1nn(C)cc1[C@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341237 JG Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CNC(=O)C[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587341302 JG Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CNC(=O)C[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587341305 JG Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CNC(=O)C[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587341306 JG Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CNC(=O)C[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587341307 JG Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc3[C@]12O ZINC000587341806 JG Annotated Anodyne CCCN1C(=O)N[C@@]2(O)[C@@]1(O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341811 JG Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc3[C@]12O ZINC000587341812 JG Annotated Anodyne CCCN1C(=O)N[C@@]2(O)[C@@]1(O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341813 JG Annotated Anodyne CCOC(=O)C1=C[C@H]([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)N(C)C1=N ZINC000587341987 JG Annotated Anodyne CCOC(=O)C1=C[C@H]([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)N(C)C1=N ZINC000587341988 JG Annotated Anodyne CCOC(=O)C1=C[C@H]([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)N(C)C1=N ZINC000587341989 JG Annotated Anodyne CCOC(=O)C1=C[C@H]([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)N(C)C1=N ZINC000587341990 JG Annotated Anodyne CCOC(=O)c1nnn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C(=O)OCC ZINC000587342415 JG Annotated Anodyne CCOC(=O)c1nnn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C(=O)OCC ZINC000587342416 JG Annotated Anodyne CCOC(=O)c1nnn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C(=O)OCC ZINC000587342417 JG Annotated Anodyne CCOC(=O)c1nnn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C(=O)OCC ZINC000587342418 JG Annotated Anodyne CCn1nccc1[C@]1(CC(=O)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342534 JG Annotated Anodyne CCn1nccc1[C@]1(CC(=O)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342536 JG Annotated Anodyne CCn1nccc1[C@@]1(CC(=O)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342538 JG Annotated Anodyne CCn1nccc1[C@@]1(CC(=O)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342540 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(C)nn(C)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342868 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(C)nn(C)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342869 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(C)nn(C)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342870 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(C)nn(C)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342871 JG Annotated Anodyne CCn1ccc([C@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587343439 JG Annotated Anodyne CCn1ccc([C@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587343440 JG Annotated Anodyne CCn1ccc([C@@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587343442 JG Annotated Anodyne CCn1ccc([C@@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587343443 JG Annotated Anodyne Nc1cccc2c1OC(c1nn[nH]n1)=C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345367 JG Annotated Anodyne Nc1cccc2c1OC(c1nn[nH]n1)=C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345375 JG Annotated Anodyne Nc1cccc2c1OC(c1nn[nH]n1)=C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345379 JG Annotated Anodyne Nc1cccc2c1OC(c1nn[nH]n1)=C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345383 JG Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345513 JG Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345524 JG Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345526 JG Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](C(=O)OCC)CC1=O ZINC000587345529 JG Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345530 JG Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345533 JG Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345535 JG Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](C(=O)OCC)CC1=O ZINC000587345537 JG Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587346627 JG Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587346631 JG Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587346636 JG Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587346639 JG Annotated Anodyne CCOC(=O)CCc1nc2nc(O)nc(O)c2cc1CC(=O)c1ccc(Br)cc1 ZINC000587365608 JG Annotated Anodyne CCOC(=O)Cc1cc2c(O)nc(O)nc2nc1CCC(=O)c1ccc(Br)cc1 ZINC000587366428 JG Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1c(c(Br)c(Br)c2c1CCO2)C3 ZINC000587366660 JG Annotated Anodyne CCOC(=O)CCC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)cc1 ZINC000587367370 JG Annotated Anodyne C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000587367921 JG Annotated Anodyne COC1=Cc2nc3nc(O)nc(O)c3cc2[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O ZINC000587368709 JG Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369187 JG Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369188 JG Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369189 JG Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369190 JG Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369196 JG Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369197 JG Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369198 JG Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369199 JG Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@@H](C2CCOCC2)c2cc3c(O)nc(O)nc3nc21 ZINC000587369238 JG Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@@H](C2CCOCC2)c2cc3c(O)nc(O)nc3nc21 ZINC000587369239 JG Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)c2cc3c(O)nc(O)nc3nc21 ZINC000587369240 JG Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)c2cc3c(O)nc(O)nc3nc21 ZINC000587369241 JG Annotated Anodyne Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587369443 JG Annotated Anodyne Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587369444 JG Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)NCC(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370876 JG Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)NCC(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370877 JG Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)NCC(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370878 JG Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)NCC(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370879 JG Annotated Anodyne C[C@@]1(CN2C(=O)c3ccccc3S2(=O)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372238 JG Annotated Anodyne C[C@@]1(CN2C(=O)c3ccccc3S2(=O)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372247 JG Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3S2(=O)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372249 JG Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3S2(=O)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372253 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(Cc2ncon2)c2ccc(Br)cc21 ZINC000587372612 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(Cc2ncon2)c2ccc(Br)cc21 ZINC000587372613 JG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2N2CCS(=O)(=O)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587375590 JG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2N2CCS(=O)(=O)CC2)[C@H]1c1ccc(F)cc1 ZINC000587375593 JG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2N2CCS(=O)(=O)CC2)[C@H]1c1ccc(F)cc1 ZINC000587375596 JG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2N2CCS(=O)(=O)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587375599 JG Annotated Anodyne CCOC(=O)[C@@]1(c2csc(NC=O)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376173 JG Annotated Anodyne CCOC(=O)[C@@]1(c2csc(NC=O)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376186 JG Annotated Anodyne CCOC(=O)[C@]1(c2csc(NC=O)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376188 JG Annotated Anodyne CCOC(=O)[C@]1(c2csc(NC=O)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376191 JG Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378120 JG Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378121 JG Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378122 JG Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378123 JG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F ZINC000587381258 JG Annotated Unstable COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F ZINC000587381259 JG Annotated Unstable COC(=O)C1=NN(c2cccc(C(F)(F)F)c2)C(=O)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587382038 JG Annotated Anodyne COC(=O)C1=NN(c2cccc(C(F)(F)F)c2)C(=O)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587382039 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587384218 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587384233 JG Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587384235 JG Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587384238 JG Annotated Anodyne CCOC(=O)c1nnn(C[C@@]2(c3ccc(F)cc3)CC(=O)c3cc(C)cc(N)c3O2)c1C(=O)OCC ZINC000587384344 JG Annotated Anodyne CCOC(=O)c1nnn(C[C@]2(c3ccc(F)cc3)CC(=O)c3cc(C)cc(N)c3O2)c1C(=O)OCC ZINC000587384345 JG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(F)cc2[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384471 JG Annotated Bother CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(F)cc2[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384472 JG Annotated Bother COCCn1cc([C@@]2(c3cc(F)ccc3O)CC(=O)c3cc(C)cc(N)c3O2)cc(C#N)c1=O ZINC000587385004 JG Annotated Mild COCCn1cc([C@]2(c3cc(F)ccc3O)CC(=O)c3cc(C)cc(N)c3O2)cc(C#N)c1=O ZINC000587385010 JG Annotated Mild COc1nc(OC)c(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1I ZINC000587385286 JG Annotated Anodyne COc1nc(OC)c(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1I ZINC000587385287 JG Annotated Anodyne COC(=O)c1ncn(C[C@]2(c3ccc(F)cc3)CC(=O)c3cc(C)cc(N)c3O2)c1C(=O)OC ZINC000587385436 JG Annotated Anodyne COC(=O)c1ncn(C[C@@]2(c3ccc(F)cc3)CC(=O)c3cc(C)cc(N)c3O2)c1C(=O)OC ZINC000587385442 JG Annotated Anodyne COCCCn1cc([C@@]2(c3cc(F)ccc3O)CC(=O)c3cc(C)cc(N)c3O2)cc(C#N)c1=O ZINC000587387185 JG Annotated Mild COCCCn1cc([C@]2(c3cc(F)ccc3O)CC(=O)c3cc(C)cc(N)c3O2)cc(C#N)c1=O ZINC000587387186 JG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CI)(CN1C(=O)c3ccccc3C1=O)O2 ZINC000587387533 JG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CI)(CN1C(=O)c3ccccc3C1=O)O2 ZINC000587387534 JG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c(O)ccc([N+](=O)[O-])c21 ZINC000587388366 JG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c(O)ccc([N+](=O)[O-])c21 ZINC000587388368 JG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c([N+](=O)[O-])cc(C(=O)O)c(N)c21 ZINC000587388985 JG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c([N+](=O)[O-])cc(C(=O)O)c(N)c21 ZINC000587388986 JG Annotated Bother Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2c([N+](=O)[O-])ccc(O)c2C(=O)c2c(O)ccc([N+](=O)[O-])c21 ZINC000587389204 JG Annotated Bother Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587390000 JG Annotated Bother COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390938 JG Annotated Bother COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390939 JG Annotated Bother COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390940 JG Annotated Bother COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390941 JG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000587391471 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2OC(=O)[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000587391474 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000587391477 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2OC(=O)[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000587391480 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(N)c(C(=O)O)cc([N+](=O)[O-])c21 ZINC000587391759 JG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(N)c(C(=O)O)cc([N+](=O)[O-])c21 ZINC000587391760 JG Annotated Bother COC(=O)[C@@]1(CC[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587392552 JG Annotated Anodyne COC(=O)[C@]1(CC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587392557 JG Annotated Anodyne COC(=O)[C@]1(CC[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587392558 JG Annotated Anodyne COC(=O)[C@@]1(CC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587392559 JG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 ZINC000587392854 JG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000587392857 JG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000587392859 JG Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 ZINC000587392861 JG Annotated Anodyne COC(=O)[C@]1(CCC(C)=O)CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395153 JG Annotated Anodyne COC(=O)[C@@]1(CCC(C)=O)CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395154 JG Annotated Anodyne COC(=O)[C@]1(CCC(C)=O)CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395155 JG Annotated Anodyne COC(=O)[C@@]1(CCC(C)=O)CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395156 JG Annotated Anodyne CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587395790 JG Annotated Anodyne CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587395794 JG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(C)[nH]c(C(=O)OCC)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395963 JG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(C)[nH]c(C(=O)OCC)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395964 JG Annotated Anodyne COCCCn1cc([C@@]2(c3cc(OC)ccc3O)CC(=O)c3cc(C)cc(N)c3O2)cc(C#N)c1=O ZINC000587397534 JG Annotated Mild COCCCn1cc([C@]2(c3cc(OC)ccc3O)CC(=O)c3cc(C)cc(N)c3O2)cc(C#N)c1=O ZINC000587397535 JG Annotated Mild COC1CCC2(CC1)NC(=O)[C@@](O)(c1cc(C)ccc1C)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398896 JG Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@@](O)(c1cc(C)ccc1C)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398899 JG Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@](O)(c1cc(C)ccc1C)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398901 JG Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@](O)(c1cc(C)ccc1C)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398902 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccc(OCC(=O)O)cc1O2 ZINC000587398977 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccc(OCC(=O)O)cc1O2 ZINC000587398981 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000587400013 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000587400014 JG Annotated Anodyne COC(=O)c1cc(O)cc(O)c1[C@@]1(c2c(O)cc(C)cc2O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400754 JG Annotated Anodyne COC(=O)c1cc(O)cc(O)c1[C@]1(c2c(O)cc(C)cc2O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400759 JG Annotated Anodyne Cc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@@]34CC(=O)c3cc(C)cc(N)c3O4)OC2=O)cc1 ZINC000587400886 JG Annotated Anodyne Cc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@]34CC(=O)c3cc(C)cc(N)c3O4)OC2=O)cc1 ZINC000587400899 JG Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)C(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407086 JG Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)C(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407087 JG Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)C(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407088 JG Annotated Clean COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)C(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407089 JG Annotated Clean COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)CC1=O ZINC000587407518 JG Annotated Mild COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)CC1=O ZINC000587407519 JG Annotated Mild COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)CC1=O ZINC000587407520 JG Annotated Mild COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)CC1=O ZINC000587407522 JG Annotated Mild CCn1c(SCC2=C[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C(=O)CO2)nc2ccccc2c1=O ZINC000587407869 JG Annotated Anodyne CCn1c(SCC2=C[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C(=O)CO2)nc2ccccc2c1=O ZINC000587407870 JG Annotated Anodyne COC(=O)c1ccc2oc(SCC3=C[C@]4(CC(=O)c5cc(C)cc(N)c5O4)C(=O)CO3)nc2c1 ZINC000587408046 JG Annotated Anodyne COC(=O)c1ccc2oc(SCC3=C[C@@]4(CC(=O)c5cc(C)cc(N)c5O4)C(=O)CO3)nc2c1 ZINC000587408052 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc13)O2 ZINC000587408366 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc13)O2 ZINC000587408367 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccn(S(=O)(=O)c3ccccc3)c1)O2 ZINC000587408422 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccn(S(=O)(=O)c3ccccc3)c1)O2 ZINC000587408423 JG Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408519 JG Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408524 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)OCCOCCOCCOCCO3)O2 ZINC000587408876 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)OCCOCCOCCOCCO3)O2 ZINC000587408877 JG Annotated Anodyne COC1=COC(CSc2nnnn2-c2ccccc2)=C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409129 JG Annotated Anodyne COC1=COC(CSc2nnnn2-c2ccccc2)=C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409134 JG Annotated Anodyne COC(=O)c1ccc2oc(SCC3=CC(=O)[C@@]4(CO3)CC(=O)c3cc(C)cc(N)c3O4)nc2c1 ZINC000587409954 JG Annotated Mild COC(=O)c1ccc2oc(SCC3=CC(=O)[C@]4(CO3)CC(=O)c3cc(C)cc(N)c3O4)nc2c1 ZINC000587409955 JG Annotated Mild CCn1c(SCC2=CC(=O)[C@]3(CO2)CC(=O)c2cc(C)cc(N)c2O3)nc2ccccc2c1=O ZINC000587410018 JG Annotated Mild CCn1c(SCC2=CC(=O)[C@@]3(CO2)CC(=O)c2cc(C)cc(N)c2O3)nc2ccccc2c1=O ZINC000587410019 JG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1N1CCCCC1)O2 ZINC000587410227 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1N1CCCCC1)O2 ZINC000587410242 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1N1CCCCC1)O2 ZINC000587410244 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1N1CCCCC1)O2 ZINC000587410246 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H](Br)[C@H]2CC[C@]1(CS(=O)(=O)O)C2(C)C ZINC000587410449 JG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](Br)[C@H]2CC[C@]1(CS(=O)(=O)O)C2(C)C ZINC000587410452 JG Annotated Reactive COc1cc(O)c([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1S(=O)(=O)O ZINC000587410704 JG Annotated Anodyne COc1cc(O)c([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1S(=O)(=O)O ZINC000587410705 JG Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C2=O ZINC000587410884 JG Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C2=O ZINC000587410887 JG Annotated Clean COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C2=O ZINC000587410888 JG Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C2=O ZINC000587410889 JG Annotated Clean COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410896 JG Annotated Clean COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410897 JG Annotated Clean COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410898 JG Annotated Clean COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410899 JG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(S(=O)(=O)N(C)C)cc1)O2 ZINC000587411422 JG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(S(=O)(=O)N(C)C)cc1)O2 ZINC000587411425 JG Annotated Reactive COc1cc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)ccc1O ZINC000587411428 JG Annotated Anodyne COc1cc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)ccc1O ZINC000587411431 JG Annotated Anodyne COc1cc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)ccc1O ZINC000587411432 JG Annotated Anodyne COc1cc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)ccc1O ZINC000587411434 JG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(c1ccc3c(c1)C(=O)OC3=O)(c1ccc3c(c1)C(=O)OC3=O)O2 ZINC000587412781 JG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)CC(c1nc3c(s1)CN(C)CC3)(c1nc3c(s1)CN(C)CC3)O2 ZINC000587412855 JG Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1C[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413241 JG Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1C[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413242 JG Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1C[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413243 JG Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1C[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413244 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OCC(=O)N(C)C)c(OC)c1)[C@@H](C2)C3=O ZINC000587413266 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OCC(=O)N(C)C)c(OC)c1)[C@@H](C2)C3=O ZINC000587413267 JG Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(CCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587413576 JG Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(CCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587413578 JG Annotated Reactive CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Br)c1OCC(N)=O ZINC000587413774 JG Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Br)c1OCC(N)=O ZINC000587413775 JG Annotated Anodyne COc1cc2c3c(c1)O[C@](CNC(=O)CCl)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587414148 JG Annotated Reactive COc1cc2c3c(c1)O[C@@](CNC(=O)CCl)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587414153 JG Annotated Reactive COc1cc([C@@H]2Oc3cc(O)cc(O)c3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)ccc1O ZINC000587414637 JG Annotated Anodyne COc1cc([C@H]2Oc3cc(O)cc(O)c3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)ccc1O ZINC000587414638 JG Annotated Anodyne COc1cc([C@H]2Oc3cc(O)cc(O)c3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)ccc1O ZINC000587414641 JG Annotated Anodyne COc1cc([C@@H]2Oc3cc(O)cc(O)c3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)ccc1O ZINC000587414644 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(Cc4ncon4)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416406 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(Cc4ncon4)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416407 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CN1CCN(C)CC1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416589 JG Annotated Anodyne COc1cc2c3c(c1)O[C@](CN1CCN(C)CC1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416596 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@H]2[C@H]3C(=O)[C@H](Br)[C@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br ZINC000587416843 JG Annotated Reactive COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@H]2[C@H]3C(=O)[C@H](Br)[C@@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br ZINC000587416844 JG Annotated Reactive COc1cc2c3c(c1)O[C@]1([C@@H]4[C@H]5C(=O)[C@H](Br)[C@H]6[C@H]5C[C@@H]4[C@H]6[C@H]1Br)[C@@H](C2)C3=O ZINC000587416845 JG Annotated Reactive COc1cc2c3c(c1)O[C@]1([C@@H]4[C@H]5C(=O)[C@H](Br)[C@@H]6[C@H]5C[C@@H]4[C@H]6[C@H]1Br)[C@@H](C2)C3=O ZINC000587416846 JG Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(=O)N(CCN(C)C)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587417120 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(CCN(C)C)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587417131 JG Annotated Anodyne COCCCN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc21 ZINC000587418470 JG Annotated Anodyne COCCCN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc21 ZINC000587418475 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cn1nnn(-c4ccccc4Cl)c1=O)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587419853 JG Annotated Anodyne COc1cc2c3c(c1)O[C@](Cn1nnn(-c4ccccc4Cl)c1=O)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587419855 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCCn4cc(C(=O)O)nn4)c(Cl)c1)[C@@H](C2)C3=O ZINC000587419884 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCCn4cc(C(=O)O)nn4)c(Cl)c1)[C@@H](C2)C3=O ZINC000587419888 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@H](C)NC(=O)CCC(=O)O)[C@@H](C2)C3=O ZINC000587420607 JG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@@H](C)NC(=O)CCC(=O)O)[C@@H](C2)C3=O ZINC000587420608 JG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@H](C)NC(=O)CCC(=O)O)[C@@H](C2)C3=O ZINC000587420611 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@@H](C)NC(=O)CCC(=O)O)[C@@H](C2)C3=O ZINC000587420615 JG Annotated Anodyne CCOC(=O)c1ncn(C[C@@]2(c3ccc(Cl)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587420788 JG Annotated Anodyne CCOC(=O)c1ncn(C[C@]2(c3ccc(Cl)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587420799 JG Annotated Anodyne CCOC(=O)c1ncn(C[C@@]2(c3cccc(Cl)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587421176 JG Annotated Anodyne CCOC(=O)c1ncn(C[C@]2(c3cccc(Cl)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587421178 JG Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587421945 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587421965 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587421967 JG Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587421969 JG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(Cl)ccc1OC)([C@H]1CCCN(C=O)C1=O)[C@@H](C2)C3=O ZINC000587422383 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(Cl)ccc1OC)([C@H]1CCCN(C=O)C1=O)[C@@H](C2)C3=O ZINC000587422391 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(Cl)ccc1OC)([C@@H]1CCCN(C=O)C1=O)[C@@H](C2)C3=O ZINC000587422393 JG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(Cl)ccc1OC)([C@@H]1CCCN(C=O)C1=O)[C@@H](C2)C3=O ZINC000587422395 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587423132 JG Annotated Unstable COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587423135 JG Annotated Unstable COc1cc2c3c(c1)O[C@]1(CC(=O)N(c4cccc(C(F)(F)F)c4)N=C1C(=O)O)[C@@H](C2)C3=O ZINC000587423207 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(=O)N(c4cccc(C(F)(F)F)c4)N=C1C(=O)O)[C@@H](C2)C3=O ZINC000587423208 JG Annotated Anodyne COC(=O)C1=NN(c2cccc(C(F)(F)F)c2)C(=O)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587423762 JG Annotated Anodyne COC(=O)C1=NN(c2cccc(C(F)(F)F)c2)C(=O)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587423770 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(F)c(-c4noc(CN5CCOCC5)n4)c1)[C@@H](C2)C3=O ZINC000587424587 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(-c4noc(CN5CCOCC5)n4)c1)[C@@H](C2)C3=O ZINC000587424588 JG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCN(C(=O)CCl)CC4)c(F)c1)[C@@H](C2)C3=O ZINC000587425803 JG Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCN(C(=O)CCl)CC4)c(F)c1)[C@@H](C2)C3=O ZINC000587425804 JG Annotated Reactive CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426140 JG Annotated Bother CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426141 JG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1c(I)c(OC)nc(OC)c1OC)[C@@H](C2)C3=O ZINC000587426283 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(I)c(OC)nc(OC)c1OC)[C@@H](C2)C3=O ZINC000587426284 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N(CCOC(C)=O)CCOC(C)=O)cc1)[C@@H](C2)C3=O ZINC000587426822 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N(CCOC(C)=O)CCOC(C)=O)cc1)[C@@H](C2)C3=O ZINC000587426824 JG Annotated Anodyne C=CCn1cc([C@]2(c3cc(F)ccc3O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(C#N)c1=O ZINC000587427046 JG Annotated Mild C=CCn1cc([C@@]2(c3cc(F)ccc3O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(C#N)c1=O ZINC000587427052 JG Annotated Mild COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc(I)c1O)[C@@H](C2)C3=O ZINC000587427064 JG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc(I)c1O)[C@@H](C2)C3=O ZINC000587427068 JG Annotated Bother CNc1ccc(NCCO)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427385 JG Annotated Clean CNc1ccc(NCCO)c2c1C(=O)c1ccccc1[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427386 JG Annotated Clean COCCCn1cc([C@]2(c3cc(F)ccc3O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(C#N)c1=O ZINC000587427442 JG Annotated Mild COCCCn1cc([C@@]2(c3cc(F)ccc3O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(C#N)c1=O ZINC000587427444 JG Annotated Mild COC(=O)c1cc(I)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[nH]1 ZINC000587428650 JG Annotated Anodyne COC(=O)c1cc(I)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[nH]1 ZINC000587428651 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c([N+](=O)[O-])cc(C(=O)O)c(N)c41)[C@@H](C2)C3=O ZINC000587431526 JG Annotated Bother COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c([N+](=O)[O-])cc(C(=O)O)c(N)c41)[C@@H](C2)C3=O ZINC000587431530 JG Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(N)c(C(=O)O)cc([N+](=O)[O-])c41)[C@@H](C2)C3=O ZINC000587432210 JG Annotated Bother COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(N)c(C(=O)O)cc([N+](=O)[O-])c41)[C@@H](C2)C3=O ZINC000587432213 JG Annotated Bother CNc1ccc(NCCO)c2c1[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c1ccccc1C2=O ZINC000587433953 JG Annotated Clean CNc1ccc(NCCO)c2c1[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c1ccccc1C2=O ZINC000587433954 JG Annotated Clean COc1cc2c3c(c1)O[C@]1(c4c(O)ccc([N+](=O)[O-])c4C(=O)c4c(O)ccc([N+](=O)[O-])c41)[C@@H](C2)C3=O ZINC000587434048 JG Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4c(O)ccc([N+](=O)[O-])c4C(=O)c4c(O)ccc([N+](=O)[O-])c41)[C@@H](C2)C3=O ZINC000587434049 JG Annotated Bother COc1cc2c3c(c1)OC1(c4c([N+](=O)[O-])ccc(O)c4C(=O)c4c(O)ccc([N+](=O)[O-])c41)[C@@H](C2)C3=O ZINC000587434141 JG Annotated Bother COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434163 JG Annotated Bother COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434167 JG Annotated Bother COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434172 JG Annotated Bother COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434176 JG Annotated Bother COc1cc2c3c(c1)OC1(c4c(O)ccc([N+](=O)[O-])c4C(=O)c4c([N+](=O)[O-])ccc(O)c41)[C@@H](C2)C3=O ZINC000587434632 JG Annotated Bother COc1cc2c3c(c1)OC1(CC(C(=O)N4CCN(C(=O)OC(C)(C)C)C[C@H]4C)C1)[C@@H](C2)C3=O ZINC000587434746 JG Annotated Anodyne COC(=O)[C@]1(CC[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587434939 JG Annotated Anodyne COC(=O)[C@@]1(CC[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587434949 JG Annotated Anodyne COC(=O)[C@]1(CC[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587434952 JG Annotated Anodyne COC(=O)[C@@]1(CC[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587434954 JG Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(CN1C(=O)OCc1ccccc1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587436512 JG Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(CN1C(=O)OCc1ccccc1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587436514 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587436679 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587436682 JG Annotated Anodyne COc1cc2c3c(c1)OC1(CC(C(=O)N4CCN(C(=O)OC(C)(C)C)[C@H](C)C4)C1)[C@@H](C2)C3=O ZINC000587437413 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N4C[C@H](C)O[C@@H](C)C4)nc4c(C)cccn4c1=O)[C@@H](C2)C3=O ZINC000587437545 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N4C[C@H](C)O[C@H](C)C4)nc4c(C)cccn4c1=O)[C@@H](C2)C3=O ZINC000587437548 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(N4C[C@H](C)O[C@H](C)C4)nc4c(C)cccn4c1=O)[C@@H](C2)C3=O ZINC000587437550 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N4C[C@@H](C)O[C@H](C)C4)nc4c(C)cccn4c1=O)[C@@H](C2)C3=O ZINC000587437551 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4OC(=O)[C@H]1CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587437952 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4OC(=O)[C@@H]1CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587437956 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587437957 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587437958 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)C2(CCC(OC)CC2)NC(=O)[C@]1(O)c1cc(C)ccc1C ZINC000587438096 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)C2(CCC(OC)CC2)NC(=O)[C@@]1(O)c1cc(C)ccc1C ZINC000587438100 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)C2(CCC(OC)CC2)NC(=O)[C@@]1(O)c1cc(C)ccc1C ZINC000587438103 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)C2(CCC(OC)CC2)NC(=O)[C@]1(O)c1cc(C)ccc1C ZINC000587438106 JG Annotated Anodyne COC(=O)[C@H]1CC[C@]2(CN1C(=O)OCc1ccccc1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438932 JG Annotated Anodyne COC(=O)[C@H]1CC[C@@]2(CN1C(=O)OCc1ccccc1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438934 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438961 JG Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438962 JG Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438964 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438966 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)N4C[C@@H](C)O[C@H](C)C4)c(OC)c1)[C@@H](C2)C3=O ZINC000587439504 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)N4C[C@H](C)O[C@H](C)C4)c(OC)c1)[C@@H](C2)C3=O ZINC000587439510 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)N4C[C@H](C)O[C@H](C)C4)c(OC)c1)[C@@H](C2)C3=O ZINC000587439514 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)N4C[C@H](C)O[C@@H](C)C4)c(OC)c1)[C@@H](C2)C3=O ZINC000587439518 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439966 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439972 JG Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OCc2ccccc2)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439976 JG Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OCc2ccccc2)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439979 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N4C[C@H](C)O[C@H](C)C4)nc4ccc(C)cn4c1=O)[C@@H](C2)C3=O ZINC000587439988 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N4C[C@H](C)O[C@@H](C)C4)nc4ccc(C)cn4c1=O)[C@@H](C2)C3=O ZINC000587439990 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N4C[C@@H](C)O[C@H](C)C4)nc4ccc(C)cn4c1=O)[C@@H](C2)C3=O ZINC000587439992 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(N4C[C@H](C)O[C@H](C)C4)nc4ccc(C)cn4c1=O)[C@@H](C2)C3=O ZINC000587439996 JG Annotated Anodyne COC(=O)[C@@]1(CCC(C)=O)CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440433 JG Annotated Anodyne COC(=O)[C@@]1(CCC(C)=O)CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440434 JG Annotated Anodyne COC(=O)[C@]1(CCC(C)=O)CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440436 JG Annotated Anodyne COC(=O)[C@]1(CCC(C)=O)CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440438 JG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc4c(c1)NC(=O)CO4)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587441901 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)NC(=O)CO4)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587441902 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(N5CCNCC5)cccc41)[C@@H](C2)C3=O ZINC000587442954 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(N5CCNCC5)cccc41)[C@@H](C2)C3=O ZINC000587442955 JG Annotated Anodyne COC(=O)c1cc(O)cc(O)c1[C@]1(c2c(O)cc(C)cc2O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443763 JG Annotated Anodyne COC(=O)c1cc(O)cc(O)c1[C@@]1(c2c(O)cc(C)cc2O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443769 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@@H]2OC(C)(C)O[C@@H]2CO[C@]12CN(c1ccc(C)cc1)C(=O)O2 ZINC000587444877 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@@H]2OC(C)(C)O[C@@H]2CO[C@]12CN(c1ccc(C)cc1)C(=O)O2 ZINC000587444878 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cccc(N5CCNCC5)c41)[C@@H](C2)C3=O ZINC000587444894 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cccc(N5CCNCC5)c41)[C@@H](C2)C3=O ZINC000587444895 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)o1)[C@@H](C2)C3=O ZINC000587447732 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)o1)[C@@H](C2)C3=O ZINC000587447733 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](Br)[C@H]4CC[C@]1(CS(=O)(=O)O)C4(C)C)[C@@H](C2)C3=O ZINC000587447738 JG Annotated Reactive COc1cc2c3c(c1)O[C@]1([C@@H](Br)[C@H]4CC[C@]1(CS(=O)(=O)O)C4(C)C)[C@@H](C2)C3=O ZINC000587447739 JG Annotated Reactive COc1cc2c3c(c1)O[C@](CSc1nc(C)cc(O)n1)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587448459 JG Annotated Clean COc1cc2c3c(c1)O[C@@](CSc1nc(C)cc(O)n1)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587448461 JG Annotated Clean COc1cc2c3c(c1)O[C@@](CBr)(CS(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587448640 JG Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(CS(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587448641 JG Annotated Reactive COc1cc2c3c(c1)OC1(CCN(S(=O)(=O)c4ccc(Br)cc4)CC1)[C@@H](C2)C3=O ZINC000587448949 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccn(S(=O)(=O)c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587449452 JG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccn(S(=O)(=O)c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587449460 JG Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450270 JG Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450275 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)[nH]c4ccc(S(=O)(=O)N5CCOCC5)cc14)[C@@H](C2)C3=O ZINC000587450331 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)[nH]c4ccc(S(=O)(=O)N5CCOCC5)cc14)[C@@H](C2)C3=O ZINC000587450336 JG Annotated Anodyne CCn1c(SCC2=CC(=O)[C@@]3(CO2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)nc2ccccc2c1=O ZINC000587450550 JG Annotated Mild CCn1c(SCC2=CC(=O)[C@]3(CO2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)nc2ccccc2c1=O ZINC000587450553 JG Annotated Mild COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O)[C@@H](C2)C3=O ZINC000587450633 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O)[C@@H](C2)C3=O ZINC000587450642 JG Annotated Anodyne CCOC(=O)C[C@]1(CCS(=O)(=O)c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450736 JG Annotated Anodyne CCOC(=O)C[C@@]1(CCS(=O)(=O)c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450739 JG Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450803 JG Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450807 JG Annotated Anodyne CCn1c(SCC2=C[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C(=O)CO2)nc2ccccc2c1=O ZINC000587451000 JG Annotated Anodyne CCn1c(SCC2=C[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C(=O)CO2)nc2ccccc2c1=O ZINC000587451001 JG Annotated Anodyne COC(=O)c1ccc2oc(SCC3=CC(=O)[C@@]4(CO3)Oc3cc(OC)cc5c3C(=O)[C@H]4C5)nc2c1 ZINC000587451093 JG Annotated Mild COC(=O)c1ccc2oc(SCC3=CC(=O)[C@]4(CO3)Oc3cc(OC)cc5c3C(=O)[C@H]4C5)nc2c1 ZINC000587451103 JG Annotated Mild COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(S(=O)(=O)O)c(OC)cc1O)[C@@H](C2)C3=O ZINC000587451322 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(S(=O)(=O)O)c(OC)cc1O)[C@@H](C2)C3=O ZINC000587451325 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(O)c(OC)c4)Oc4cc(OC)cc(O)c41)[C@@H](C2)C3=O ZINC000587451876 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(O)c(OC)c4)Oc4cc(OC)cc(O)c41)[C@@H](C2)C3=O ZINC000587451878 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(O)c(OC)c4)Oc4cc(OC)cc(O)c41)[C@@H](C2)C3=O ZINC000587451881 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(O)c(OC)c4)Oc4cc(OC)cc(O)c41)[C@@H](C2)C3=O ZINC000587451885 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(C(=O)O)c(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587451890 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(C(=O)O)c(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587451895 JG Annotated Anodyne COC(=O)c1ccc2oc(SCC3=C[C@@]4(Oc5cc(OC)cc6c5C(=O)[C@H]4C6)C(=O)CO3)nc2c1 ZINC000587452146 JG Annotated Anodyne COC(=O)c1ccc2oc(SCC3=C[C@]4(Oc5cc(OC)cc6c5C(=O)[C@H]4C6)C(=O)CO3)nc2c1 ZINC000587452150 JG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C(=O)O)cc1)(c1cc(C(=O)O)ccc1C(=O)O)[C@@H](C2)C3=O ZINC000587452464 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C(=O)O)cc1)(c1cc(C(=O)O)ccc1C(=O)O)[C@@H](C2)C3=O ZINC000587452465 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)OCCOCCOCCOCCO4)[C@@H](C2)C3=O ZINC000587452990 JG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)OCCOCCOCCOCCO4)[C@@H](C2)C3=O ZINC000587452997 JG Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1C[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587453056 JG Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1C[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587453058 JG Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1C[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587453059 JG Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1C[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587453061 JG Annotated Anodyne COc1cc2c3c(c1)OC(c1nc4c(s1)CN(C)CC4)(c1nc4c(s1)CN(C)CC4)[C@@H](C2)C3=O ZINC000587453376 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn([C@H]4CCS(=O)(=O)C4)c1N1CCCCC1)[C@@H](C2)C3=O ZINC000587453550 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn([C@@H]4CCS(=O)(=O)C4)c1N1CCCCC1)[C@@H](C2)C3=O ZINC000587453567 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn([C@H]4CCS(=O)(=O)C4)c1N1CCCCC1)[C@@H](C2)C3=O ZINC000587453572 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn([C@@H]4CCS(=O)(=O)C4)c1N1CCCCC1)[C@@H](C2)C3=O ZINC000587453575 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)OCCOCCOCCOCCO4)[C@@H](C2)C3=O ZINC000587454677 JG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)OCCOCCOCCOCCO4)[C@@H](C2)C3=O ZINC000587454678 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccc(O)cc4O[C@H]1c1cc(O)c(O)c(O)c1)[C@@H](C2)C3=O ZINC000587455111 JG Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)c4ccc(O)cc4O[C@H]1c1cc(O)c(O)c(O)c1)[C@@H](C2)C3=O ZINC000587455112 JG Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)c4ccc(O)cc4O[C@@H]1c1cc(O)c(O)c(O)c1)[C@@H](C2)C3=O ZINC000587455113 JG Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccc(O)cc4O[C@@H]1c1cc(O)c(O)c(O)c1)[C@@H](C2)C3=O ZINC000587455114 JG Annotated Clean COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)CC1=O ZINC000587455121 JG Annotated Mild COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)CC1=O ZINC000587455122 JG Annotated Mild COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)CC1=O ZINC000587455123 JG Annotated Mild COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)CC1=O ZINC000587455124 JG Annotated Mild COc1cc2c3c(c1)O[C@]1(C(=O)c4c(O)cc(O)cc4O[C@H]1c1ccc(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587455247 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4c(O)cc(O)cc4O[C@@H]1c1ccc(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587455248 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(O)cc(O)cc4O[C@@H]1c1ccc(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587455249 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(O)cc(O)cc4O[C@H]1c1ccc(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587455250 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(O)cc(O)cc4O[C@H]1c1ccc(O)cc1O)[C@@H](C2)C3=O ZINC000587455289 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4c(O)cc(O)cc4O[C@H]1c1ccc(O)cc1O)[C@@H](C2)C3=O ZINC000587455290 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4c(O)cc(O)cc4O[C@@H]1c1ccc(O)cc1O)[C@@H](C2)C3=O ZINC000587455291 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(O)cc(O)cc4O[C@@H]1c1ccc(O)cc1O)[C@@H](C2)C3=O ZINC000587455292 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(O)cc4)Oc4cc(OC)cc(O)c41)[C@@H](C2)C3=O ZINC000587456140 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(O)cc4)Oc4cc(OC)cc(O)c41)[C@@H](C2)C3=O ZINC000587456142 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(O)cc4)Oc4cc(OC)cc(O)c41)[C@@H](C2)C3=O ZINC000587456145 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(O)cc4)Oc4cc(OC)cc(O)c41)[C@@H](C2)C3=O ZINC000587456146 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(O)c(O)c4)Oc4cc(OC)cc(O)c41)[C@@H](C2)C3=O ZINC000587456147 JG Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(O)c(O)c4)Oc4cc(OC)cc(O)c41)[C@@H](C2)C3=O ZINC000587456148 JG Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(O)c(O)c4)Oc4cc(OC)cc(O)c41)[C@@H](C2)C3=O ZINC000587456149 JG Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(O)c(O)c4)Oc4cc(OC)cc(O)c41)[C@@H](C2)C3=O ZINC000587456150 JG Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(O)cc4)Oc4cc(OC)c(OC)c(O)c41)[C@@H](C2)C3=O ZINC000587456200 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(O)cc4)Oc4cc(OC)c(OC)c(O)c41)[C@@H](C2)C3=O ZINC000587456201 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(O)cc4)Oc4cc(OC)c(OC)c(O)c41)[C@@H](C2)C3=O ZINC000587456202 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(O)cc4)Oc4cc(OC)c(OC)c(O)c41)[C@@H](C2)C3=O ZINC000587456203 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(O)c(OC)c4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587456354 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(O)c(OC)c4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587456355 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(O)c(OC)c4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587456358 JG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(O)c(OC)c4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587456359 JG Annotated Anodyne COc1cc2c3c(c1)OC(c1ccc4c(c1)C(=O)OC4=O)(c1ccc4c(c1)C(=O)OC4=O)[C@@H](C2)C3=O ZINC000587456380 JG Annotated Reactive COc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587456637 JG Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587456638 JG Annotated Anodyne COc1ccc([C@H]2Oc3cc(O)cc(O)c3[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587456639 JG Annotated Anodyne COc1ccc([C@H]2Oc3cc(O)cc(O)c3[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)cc1 ZINC000587456641 JG Annotated Anodyne COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587456906 JG Annotated Clean COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587456908 JG Annotated Clean COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587456911 JG Annotated Clean COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587456915 JG Annotated Clean COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)Oc4c1c(OC)c1ccoc1c4OC)[C@@H](C2)C3=O ZINC000587456946 JG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)Oc4c1c(OC)c1ccoc1c4OC)[C@@H](C2)C3=O ZINC000587456959 JG Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C2=O ZINC000587457168 JG Annotated Clean COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C2=O ZINC000587457169 JG Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C2=O ZINC000587457170 JG Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C2=O ZINC000587457171 JG Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC(=O)N(C)C)c2ccc(Br)cc21 ZINC000587459486 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC(=O)N(C)C)c2ccc(Br)cc21 ZINC000587459494 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cn1nnc(C(=O)OC)c1C(=O)OC)(c1ccc(F)cc1)CC2=O ZINC000587466322 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cn1nnc(C(=O)OC)c1C(=O)OC)(c1ccc(F)cc1)CC2=O ZINC000587466324 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(C(=NNc1ccc(OC)cc1)C(=O)OC)CC2=O ZINC000587469026 JG Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(C(=NNc1ccc(OC)cc1)C(=O)OC)CC2=O ZINC000587469027 JG Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N3CCOCC3)c(OC)c1)CC2=O ZINC000587473884 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N3CCOCC3)c(OC)c1)CC2=O ZINC000587473885 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nn(CCC(=O)N3CCOCC3)c1C)CC2=O ZINC000587474462 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nn(CCC(=O)N3CCOCC3)c1C)CC2=O ZINC000587474464 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(N3CCOCC3)cc1)CC2=O ZINC000587474603 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(N3CCOCC3)cc1)CC2=O ZINC000587474611 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cn1nnc(C(=O)OC)c1C(=O)OC)(c1ccccc1)CC2=O ZINC000587474815 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cn1nnc(C(=O)OC)c1C(=O)OC)(c1ccccc1)CC2=O ZINC000587474816 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C2CC2)C(=O)c2cc(OC)cc(OC)c21 ZINC000587475428 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C2CC2)C(=O)c2cc(OC)cc(OC)c21 ZINC000587475432 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)C(=O)OCC)CC2=O ZINC000587475822 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)C(=O)OCC)CC2=O ZINC000587475833 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)C(=O)OCC)CC2=O ZINC000587475836 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)C(=O)OCC)CC2=O ZINC000587475838 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(CN1C(=O)c3ccccc3C1=O)CC2=O ZINC000587475989 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(CN1C(=O)c3ccccc3C1=O)CC2=O ZINC000587475992 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC)C(=O)c2cc(OC)c(OC)c(OC)c21 ZINC000587476538 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC)C(=O)c2cc(OC)c(OC)c(OC)c21 ZINC000587476541 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COCCN1C(=O)c3ccccc3C1=O)(CC(=O)OCC)CC2=O ZINC000587478198 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COCCN1C(=O)c3ccccc3C1=O)(CC(=O)OCC)CC2=O ZINC000587478202 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(c2ccc(OC)cc2)N=C1C(=O)OC ZINC000587479126 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(c2ccc(OC)cc2)N=C1C(=O)OC ZINC000587479129 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@]2(C(=O)OCC)CC[C@@]1(C(=O)OCC)CC2=O ZINC000587481479 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@]2(C(=O)OCC)CC[C@@]1(C(=O)OCC)CC2=O ZINC000587481484 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587482107 JG Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587482114 JG Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587482117 JG Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587482119 JG Annotated Clean C#CCN1C(=O)[C@@H](C(=O)OCC)[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)c2ccc(C)nc21 ZINC000587484787 JG Annotated Mild C#CCN1C(=O)[C@@H](C(=O)OCC)[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)c2ccc(C)nc21 ZINC000587484793 JG Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)c2ccc(C)nc21 ZINC000587484796 JG Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)c2ccc(C)nc21 ZINC000587484801 JG Annotated Mild CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1cncc(Br)c1)CC2=O ZINC000587484972 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1cncc(Br)c1)CC2=O ZINC000587484975 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587486104 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587486125 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCN(C)CC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587486344 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCN(C)CC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587486361 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1[nH]c(C)c(C(=O)OC)c1C)CC2=O ZINC000587486507 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1[nH]c(C)c(C(=O)OC)c1C)CC2=O ZINC000587486519 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cccc(S(=O)(=O)N(C)C)c1)CC2=O ZINC000587486962 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cccc(S(=O)(=O)N(C)C)c1)CC2=O ZINC000587486978 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)NCCCC(=O)O)cc1)CC2=O ZINC000587487358 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)NCCCC(=O)O)cc1)CC2=O ZINC000587487366 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCN(C)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587487927 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCN(C)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587487928 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(S(=O)(=O)N(C)C)cc1)CC2=O ZINC000587488731 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(S(=O)(=O)N(C)C)cc1)CC2=O ZINC000587488734 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C(=N/NC(N)=S)c1ccccn1)(c1ccccn1)CC2=O ZINC000587489037 JG Annotated Mild CCCc1c(O)ccc2c1O[C@@](/C(=N/NC(N)=S)c1ccccn1)(c1ccccn1)CC2=O ZINC000587489043 JG Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000587489167 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000587489179 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(O)c(O)c(O)c1)(c1ccc(O)c(O)c1O)CC2=O ZINC000587489400 JG Annotated Clean CCCc1c(O)ccc2c1O[C@](c1cc(O)c(O)c(O)c1)(c1ccc(O)c(O)c1O)CC2=O ZINC000587489412 JG Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(C)CC3)cc1S(C)(=O)=O)CC2=O ZINC000587489456 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(C)CC3)cc1S(C)(=O)=O)CC2=O ZINC000587489467 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(S(C)(=O)=O)nc1)CC2=O ZINC000587489532 JG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(S(C)(=O)=O)nc1)CC2=O ZINC000587489538 JG Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)NCCCN(C)C)cc1)CC2=O ZINC000587489983 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)NCCCN(C)C)cc1)CC2=O ZINC000587490013 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(S(N)(=O)=O)cc1)CC2=O ZINC000587490017 JG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(S(N)(=O)=O)cc1)CC2=O ZINC000587490020 JG Annotated Reactive CCCc1c(O)ccc2c1OC1(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC1)CC2=O ZINC000587490061 JG Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(C)(=O)=O)cc1N1CCN(C)CC1)CC2=O ZINC000587490688 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(S(C)(=O)=O)cc1N1CCN(C)CC1)CC2=O ZINC000587490690 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc3c(c1)c(C)nn3[C@H]1CCS(=O)(=O)C1)CC2=O ZINC000587491555 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3c(c1)c(C)nn3[C@@H]1CCS(=O)(=O)C1)CC2=O ZINC000587491556 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc3c(c1)c(C)nn3[C@@H]1CCS(=O)(=O)C1)CC2=O ZINC000587491557 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3c(c1)c(C)nn3[C@H]1CCS(=O)(=O)C1)CC2=O ZINC000587491558 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cn1nnc(C(=O)OC)c1C(=O)OC)(c1cccs1)CC2=O ZINC000587493910 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cn1nnc(C(=O)OC)c1C(=O)OC)(c1cccs1)CC2=O ZINC000587493911 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2=C3c4ccc(O)c(O)c4OC[C@]3(O)CC2=CC1=O ZINC000587494255 JG Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2=C3c4ccc(O)c(O)c4OC[C@@]3(O)CC2=CC1=O ZINC000587494256 JG Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2=C3c4ccc(O)c(O)c4OC[C@@]3(O)CC2=CC1=O ZINC000587494259 JG Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2=C3c4ccc(O)c(O)c4OC[C@]3(O)CC2=CC1=O ZINC000587494262 JG Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](Br)CS(=O)(=O)C[C@@H]1Br ZINC000587494363 JG Annotated Reactive CCCc1c(O)ccc2c1OC1(CC2=O)[C@@H](Br)CS(=O)(=O)C[C@@H]1Br ZINC000587494364 JG Annotated Reactive CCCc1c(O)ccc2c1OC1(CC2=O)[C@H](Br)CS(=O)(=O)C[C@H]1Br ZINC000587494365 JG Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2sc(Cl)cc2S(=O)(=O)N(C)[C@H]1C(=O)OC ZINC000587494618 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2sc(Cl)cc2S(=O)(=O)N(C)[C@H]1C(=O)OC ZINC000587494735 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2sc(Cl)cc2S(=O)(=O)N(C)[C@@H]1C(=O)OC ZINC000587494736 JG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2sc(Cl)cc2S(=O)(=O)N(C)[C@@H]1C(=O)OC ZINC000587494738 JG Annotated Anodyne COC(=O)c1nnn(C[C@@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C(=O)OC ZINC000587504026 JG Annotated Anodyne COC(=O)c1nnn(C[C@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C(=O)OC ZINC000587504038 JG Annotated Anodyne COC(=O)C[C@@]1(C(=NNc2ccc(OC)cc2)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508923 JG Annotated Mild COC(=O)C[C@]1(C(=NNc2ccc(OC)cc2)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508924 JG Annotated Mild CCN1C(=O)c2cc(OC)c(OC)c(OC)c2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587516498 JG Annotated Anodyne CCN1C(=O)c2cc(OC)c(OC)c(OC)c2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587516500 JG Annotated Anodyne COC(=O)c1nnn(C[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C(=O)OC ZINC000587517316 JG Annotated Anodyne COC(=O)c1nnn(C[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C(=O)OC ZINC000587517317 JG Annotated Anodyne COC(=O)[C@@H]1C[C@@H](C(=O)OC)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)c1ccccc1 ZINC000587517944 JG Annotated Anodyne COC(=O)[C@@H]1C[C@H](C(=O)OC)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)c1ccccc1 ZINC000587517945 JG Annotated Anodyne COC(=O)[C@@H]1C[C@@H](C(=O)OC)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)c1ccccc1 ZINC000587517946 JG Annotated Anodyne COC(=O)[C@@H]1C[C@H](C(=O)OC)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)c1ccccc1 ZINC000587517947 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(N3CCOCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518404 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(N3CCOCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518405 JG Annotated Anodyne CN1C(=O)N(CCCC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)[C@H]2[C@H]1N=CN2C ZINC000587519251 JG Annotated Anodyne CN1C(=O)N(CCCC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)[C@H]2[C@H]1N=CN2C ZINC000587519252 JG Annotated Anodyne CN1C=N[C@@H]2[C@H]1C(=O)N(CCCC[C@]1(C)CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2C ZINC000587519253 JG Annotated Anodyne CN1C=N[C@@H]2[C@H]1C(=O)N(CCCC[C@@]1(C)CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2C ZINC000587519254 JG Annotated Anodyne C#CCN1C(=O)[C@H](C(=O)OCC)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(C)nc21 ZINC000587519354 JG Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(C)nc21 ZINC000587519355 JG Annotated Mild C#CCN1C(=O)[C@@H](C(=O)OCC)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(C)nc21 ZINC000587519356 JG Annotated Mild C#CCN1C(=O)[C@@H](C(=O)OCC)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(C)nc21 ZINC000587519357 JG Annotated Mild Cc1cccn2c(=O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCN(C)CC3)nc12 ZINC000587521566 JG Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCN(C)CC3)nc12 ZINC000587521578 JG Annotated Anodyne Cc1ccc2nc(N3CCN(C)CC3)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587522267 JG Annotated Anodyne Cc1ccc2nc(N3CCN(C)CC3)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587522269 JG Annotated Anodyne O=C1C[C@](C[C@H]2NCCC[C@@H]2O)(Cn2cnc3ccccc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587524161 JG Annotated Anodyne O=C1C[C@](C[C@@H]2NCCC[C@@H]2O)(Cn2cnc3ccccc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587524185 JG Annotated Anodyne O=C1C[C@](C[C@H]2NCCC[C@H]2O)(Cn2cnc3ccccc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587524186 JG Annotated Anodyne O=C1C[C@](C[C@@H]2NCCC[C@H]2O)(Cn2cnc3ccccc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587524187 JG Annotated Anodyne Cc1cccn2c(=O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCC(C(N)=O)CC3)nc12 ZINC000587525015 JG Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCC(C(N)=O)CC3)nc12 ZINC000587525024 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OC)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528468 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2[nH]c(C)c(C(=O)OC)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528469 JG Annotated Anodyne CN1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2S(C)(=O)=O)CC1 ZINC000587529464 JG Annotated Anodyne CN1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2S(C)(=O)=O)CC1 ZINC000587529465 JG Annotated Anodyne CCOC(=O)C[C@@]1(CN2C(=O)c3ccccc3S2(=O)=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529549 JG Annotated Anodyne CCOC(=O)C[C@]1(CN2C(=O)c3ccccc3S2(=O)=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529553 JG Annotated Anodyne COC(=O)c1nnn(C[C@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C(=O)OC ZINC000587530058 JG Annotated Anodyne COC(=O)c1nnn(C[C@@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C(=O)OC ZINC000587530061 JG Annotated Anodyne CN1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(S(C)(=O)=O)c2)CC1 ZINC000587530152 JG Annotated Anodyne CN1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(S(C)(=O)=O)c2)CC1 ZINC000587530155 JG Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2cc(Cl)sc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530616 JG Annotated Anodyne COC(=O)[C@H]1N(C)S(=O)(=O)c2cc(Cl)sc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530624 JG Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2cc(Cl)sc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530625 JG Annotated Anodyne COC(=O)[C@H]1N(C)S(=O)(=O)c2cc(Cl)sc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530626 JG Annotated Anodyne NS(=O)(=O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587530647 JG Annotated Reactive NS(=O)(=O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587530651 JG Annotated Reactive CN1CCN(c2cc(S(C)(=O)=O)ccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587532866 JG Annotated Anodyne CN1CCN(c2cc(S(C)(=O)=O)ccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587532867 JG Annotated Anodyne C[C@]1(c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533396 JG Annotated Anodyne C[C@@]1(c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533399 JG Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)[C@@H](Br)CS(=O)(=O)C[C@@H]2Br ZINC000587533596 JG Annotated Reactive O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H](Br)CS(=O)(=O)C[C@H]2Br ZINC000587533598 JG Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H](Br)CS(=O)(=O)C[C@@H]2Br ZINC000587533600 JG Annotated Reactive NC(=S)N/N=C(\c1ccccn1)[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533830 JG Annotated Mild NC(=S)N/N=C(\c1ccccn1)[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533833 JG Annotated Mild O=C(O)CC[C@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534395 JG Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534403 JG Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 ZINC000587537219 JG Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1 ZINC000587537223 JG Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 ZINC000587537224 JG Annotated Reactive CC(=O)Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1 ZINC000587537225 JG Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)C(=O)CBr ZINC000587537559 JG Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)C(=O)CBr ZINC000587537560 JG Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)C(=O)CBr ZINC000587537561 JG Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)C(=O)CBr ZINC000587537562 JG Annotated Reactive NC(=O)c1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587537805 JG Annotated Reactive NC(=O)c1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587537806 JG Annotated Reactive NC(=O)c1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587537807 JG Annotated Reactive NC(=O)c1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587537808 JG Annotated Reactive O=C1NCC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)[nH]c21 ZINC000587544493 JG Annotated Anodyne O=C1NCC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)[nH]c21 ZINC000587544506 JG Annotated Anodyne O=C1NCC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)[nH]c21 ZINC000587544508 JG Annotated Anodyne O=C1NCC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)[nH]c21 ZINC000587544509 JG Annotated Anodyne COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587552073 JG Annotated Anodyne COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587552074 JG Annotated Anodyne COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587552075 JG Annotated Anodyne COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587552076 JG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587552647 JG Annotated Bother Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587552648 JG Annotated Bother Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587552649 JG Annotated Bother Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587552650 JG Annotated Bother O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000587552659 JG Annotated Bother O=C1Oc2ccccc2C(=O)[C@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000587552660 JG Annotated Bother O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000587552661 JG Annotated Bother O=C1Oc2ccccc2C(=O)[C@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000587552662 JG Annotated Bother CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc4c(O)nc(O)nc4n3)c2)CC1 ZINC000587553879 JG Annotated Bother Cc1ccc(NN=C(C(=O)Nc2ccccc2)c2ccc3c(O)nc(O)nc3n2)c([N+](=O)[O-])c1 ZINC000587555060 JG Annotated Mild O=C(N[C@]1(C(=O)O)CCc2nc3nc(O)nc(O)c3cc2C1)OCC1c2ccccc2-c2ccccc21 ZINC000587555088 JG Annotated Anodyne O=C(N[C@@]1(C(=O)O)CCc2nc3nc(O)nc(O)c3cc2C1)OCC1c2ccccc2-c2ccccc21 ZINC000587555094 JG Annotated Anodyne CCOC(=O)C(Cc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1OC(C)C)C(=O)OCC ZINC000587555114 JG Annotated Anodyne COc1cc(CCC(=O)Cc2nc3nc(O)nc(O)c3cc2Cc2ccc(O)c(OC)c2)ccc1O ZINC000587559261 JG Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000587566398 JG Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587566406 JG Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587566861 JG Annotated Anodyne O=C(O)CCC(=O)NC[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567340 JG Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567341 JG Annotated Anodyne O=C(O)CCC(=O)NC[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567342 JG Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567343 JG Annotated Anodyne O=C(O)C1=NN(c2ccc(F)cc2)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587568506 JG Annotated Anodyne O=C(O)C1=NN(c2ccc(F)cc2)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587568507 JG Annotated Anodyne O=C(O)C1=NN(c2ccc(F)cc2)C(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587568509 JG Annotated Anodyne O=C(O)C1=NN(c2ccc(F)cc2)C(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587568510 JG Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587569639 JG Annotated Anodyne O=C(O)CCNC(=O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587570116 JG Annotated Anodyne O=C(O)CCNC(=O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587570119 JG Annotated Anodyne O=C(O)CCNC(=O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587570121 JG Annotated Anodyne O=C(O)CCNC(=O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587570123 JG Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587570335 JG Annotated Clean C[C@]1(c2ccc(S(=O)(=O)CC(=O)O)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571110 JG Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)CC(=O)O)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571113 JG Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)CC(=O)O)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571116 JG Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)CC(=O)O)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571119 JG Annotated Anodyne COc1ccc([C@]2(CNC(=O)CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587571864 JG Annotated Anodyne COc1ccc([C@@]2(CNC(=O)CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587571873 JG Annotated Anodyne COc1ccc([C@]2(CNC(=O)CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587571874 JG Annotated Anodyne COc1ccc([C@@]2(CNC(=O)CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587571875 JG Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(=O)O ZINC000587574713 JG Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(=O)O ZINC000587574714 JG Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(=O)O ZINC000587574715 JG Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(=O)O ZINC000587574716 JG Annotated Bother COc1cc([N+](=O)[O-])cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC(=O)O ZINC000587576271 JG Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC(=O)O ZINC000587576272 JG Annotated Bother COc1cc([N+](=O)[O-])cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC(=O)O ZINC000587576273 JG Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC(=O)O ZINC000587576274 JG Annotated Bother Cc1nn(CCC(=O)N2CCOCC2)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578392 JG Annotated Anodyne Cc1nn(CCC(=O)N2CCOCC2)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578396 JG Annotated Anodyne Cc1nn(CCC(=O)N2CCOCC2)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578398 JG Annotated Anodyne Cc1nn(CCC(=O)N2CCOCC2)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578399 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578711 JG Annotated Bother COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578712 JG Annotated Bother COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578713 JG Annotated Bother COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578714 JG Annotated Bother CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587578971 JG Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587578972 JG Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587578973 JG Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587578974 JG Annotated Anodyne Nc1ccc(O)c2c1C(=O)c1c(N)ccc(O)c1C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579834 JG Annotated Anodyne Nc1ccc(O)c2c1C(=O)c1c(N)ccc(O)c1C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579836 JG Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579856 JG Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579857 JG Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579858 JG Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579859 JG Annotated Anodyne O=C(ON1C(=O)CCC1=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579874 JG Annotated Mild O=C(ON1C(=O)CCC1=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579875 JG Annotated Mild O=C(ON1C(=O)CCC1=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579876 JG Annotated Mild O=C(ON1C(=O)CCC1=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579877 JG Annotated Mild CCOC(=O)C1CCN(C(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587580775 JG Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587580777 JG Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587580779 JG Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587580781 JG Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1nnnn1C ZINC000587580999 JG Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1nnnn1C ZINC000587581006 JG Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1nnnn1C ZINC000587581008 JG Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1nnnn1C ZINC000587581010 JG Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587581289 JG Annotated Anodyne Nc1ccc(O)c2c1C1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1c(N)ccc(O)c1C2=O ZINC000587581293 JG Annotated Anodyne Nc1ccc(O)c2c1C1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1c(N)ccc(O)c1C2=O ZINC000587581294 JG Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587581304 JG Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587581305 JG Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587581306 JG Annotated Anodyne CCOC(=O)C[C@]1(CN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581547 JG Annotated Anodyne CCOC(=O)C[C@@]1(CN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581549 JG Annotated Anodyne Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581550 JG Annotated Anodyne CCOC(=O)C[C@@]1(CN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581551 JG Annotated Anodyne CCOC(=O)C[C@]1(CN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581552 JG Annotated Anodyne Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581558 JG Annotated Anodyne CCn1nc(C)c([C@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587581794 JG Annotated Anodyne CCn1nc(C)c([C@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587581795 JG Annotated Anodyne CCn1nc(C)c([C@@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587581796 JG Annotated Anodyne CCn1nc(C)c([C@@]2(CC(=O)C(=O)OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587581797 JG Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581844 JG Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581845 JG Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581846 JG Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581847 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581935 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581938 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581940 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581942 JG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCC(=O)N1CCC(O)CC1 ZINC000587582257 JG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCC(=O)N1CCC(O)CC1 ZINC000587582259 JG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCC(=O)N1CCC(O)CC1 ZINC000587582261 JG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCC(=O)N1CCC(O)CC1 ZINC000587582263 JG Annotated Anodyne O=C(ON1C(=O)CCC1=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587582674 JG Annotated Mild O=C(ON1C(=O)CCC1=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587582675 JG Annotated Mild O=C(ON1C(=O)CCC1=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587582676 JG Annotated Mild O=C(ON1C(=O)CCC1=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587582677 JG Annotated Mild CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582706 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582707 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582708 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582709 JG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCC(=O)N2CCC(O)CC2)c1 ZINC000587583519 JG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCC(=O)N2CCC(O)CC2)c1 ZINC000587583522 JG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCC(=O)N2CCC(O)CC2)c1 ZINC000587583523 JG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCC(=O)N2CCC(O)CC2)c1 ZINC000587583524 JG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCC(=O)N2CCC(O)CC2)cc1 ZINC000587583829 JG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCC(=O)N2CCC(O)CC2)cc1 ZINC000587583831 JG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCC(=O)N2CCC(O)CC2)cc1 ZINC000587583833 JG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCC(=O)N2CCC(O)CC2)cc1 ZINC000587583835 JG Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587584363 JG Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587584364 JG Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587584365 JG Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587584366 JG Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584405 JG Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584406 JG Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584407 JG Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584408 JG Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C1CC1)C(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584443 JG Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C1CC1)C(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584444 JG Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C1CC1)C(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584445 JG Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C1CC1)C(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584446 JG Annotated Anodyne COC(=O)[C@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584667 JG Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584669 JG Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584671 JG Annotated Anodyne COC(=O)[C@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584673 JG Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587586768 JG Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587586770 JG Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587586772 JG Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587586774 JG Annotated Anodyne C#CCN1C(=O)[C@H](C(=O)OCC)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(C)nc21 ZINC000587586780 JG Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(C)nc21 ZINC000587586789 JG Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(C)nc21 ZINC000587586790 JG Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(C)nc21 ZINC000587586791 JG Annotated Mild CCN1N=C(C(=O)O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc3c(cc21)OCO3 ZINC000587587209 JG Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc3c(cc21)OCO3 ZINC000587587211 JG Annotated Anodyne CCN1N=C(C(=O)O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc3c(cc21)OCO3 ZINC000587587217 JG Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc3c(cc21)OCO3 ZINC000587587220 JG Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587588427 JG Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587588432 JG Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587588434 JG Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587588435 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587588705 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587588706 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587588707 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587588708 JG Annotated Anodyne C[C@]1(c2c[nH]c(C(=O)N3CCC[C@H](CO)C3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589132 JG Annotated Anodyne C[C@]1(c2c[nH]c(C(=O)N3CCC[C@@H](CO)C3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589134 JG Annotated Anodyne C[C@]1(c2c[nH]c(C(=O)N3CCC[C@H](CO)C3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589135 JG Annotated Anodyne C[C@]1(c2c[nH]c(C(=O)N3CCC[C@@H](CO)C3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589137 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590868 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590869 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590870 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590871 JG Annotated Anodyne Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N3CCN(C)CC3)nc12 ZINC000587591438 JG Annotated Anodyne Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N3CCN(C)CC3)nc12 ZINC000587591441 JG Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N3CCN(C)CC3)nc12 ZINC000587591444 JG Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N3CCN(C)CC3)nc12 ZINC000587591446 JG Annotated Anodyne COc1cc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587591733 JG Annotated Anodyne COc1cc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587591734 JG Annotated Anodyne COc1cc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587591735 JG Annotated Anodyne COc1cc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587591736 JG Annotated Anodyne Cc1ccc2nc(N3CCN(C)CC3)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587591826 JG Annotated Anodyne Cc1ccc2nc(N3CCN(C)CC3)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587591831 JG Annotated Anodyne Cc1ccc2nc(N3CCN(C)CC3)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587591834 JG Annotated Anodyne Cc1ccc2nc(N3CCN(C)CC3)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587591837 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(OC)ccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592251 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(OC)ccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592252 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(OC)ccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592254 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(OC)ccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592256 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2[nH]c(C)c(C(=O)OC)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592925 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OC)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592926 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2[nH]c(C)c(C(=O)OC)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592927 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OC)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592928 JG Annotated Anodyne C[C@@]1(c2ccc(N3CCN(CCO)CC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593518 JG Annotated Anodyne C[C@]1(c2ccc(N3CCN(CCO)CC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593519 JG Annotated Anodyne C[C@]1(c2ccc(N3CCN(CCO)CC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593520 JG Annotated Anodyne C[C@@]1(c2ccc(N3CCN(CCO)CC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593521 JG Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587593522 JG Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587593523 JG Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587593524 JG Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587593525 JG Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCOCC1 ZINC000587594078 JG Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCOCC1 ZINC000587594079 JG Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCOCC1 ZINC000587594081 JG Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCOCC1 ZINC000587594083 JG Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587596599 JG Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587596606 JG Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587596608 JG Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587596609 JG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC3(C[C@H](C1)N2)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587596706 JG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC3(C[C@H](C1)N2)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587596707 JG Annotated Anodyne C[C@]1(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597064 JG Annotated Mild C[C@@]1(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597067 JG Annotated Mild C[C@]1(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597069 JG Annotated Mild C[C@@]1(c2ccc(-n3cc(C#N)c(O)nc3=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597070 JG Annotated Mild COC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597289 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597290 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597291 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597292 JG Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599344 JG Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599349 JG Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599350 JG Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599351 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602150 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602151 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602152 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602153 JG Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605120 JG Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605125 JG Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605126 JG Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605127 JG Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)N3CCOCC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605153 JG Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)N3CCOCC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605155 JG Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)N3CCOCC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605157 JG Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)N3CCOCC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605159 JG Annotated Anodyne CN(C)CCCNS(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605174 JG Annotated Anodyne CN(C)CCCNS(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605176 JG Annotated Anodyne CN(C)CCCNS(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605178 JG Annotated Anodyne CN(C)CCCNS(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605180 JG Annotated Anodyne CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(S(C)(=O)=O)c2)CC1 ZINC000587605229 JG Annotated Anodyne CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(S(C)(=O)=O)c2)CC1 ZINC000587605231 JG Annotated Anodyne CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(S(C)(=O)=O)c2)CC1 ZINC000587605233 JG Annotated Anodyne CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(S(C)(=O)=O)c2)CC1 ZINC000587605236 JG Annotated Anodyne COc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1S(N)(=O)=O ZINC000587605281 JG Annotated Anodyne COc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1S(N)(=O)=O ZINC000587605282 JG Annotated Anodyne COc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1S(N)(=O)=O ZINC000587605283 JG Annotated Anodyne COc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1S(N)(=O)=O ZINC000587605284 JG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000587605354 JG Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000587605357 JG Annotated Bother CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N2CCOCC2)c1 ZINC000587605418 JG Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N2CCOCC2)c1 ZINC000587605419 JG Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N2CCOCC2)c1 ZINC000587605420 JG Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N2CCOCC2)c1 ZINC000587605421 JG Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)NCCC(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605463 JG Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)NCCC(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605464 JG Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)NCCC(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605465 JG Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)NCCC(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605466 JG Annotated Anodyne CS(=O)(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCOCC1 ZINC000587605701 JG Annotated Anodyne CS(=O)(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCOCC1 ZINC000587605703 JG Annotated Anodyne CS(=O)(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCOCC1 ZINC000587605705 JG Annotated Anodyne CS(=O)(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCOCC1 ZINC000587605708 JG Annotated Anodyne NS(=O)(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605840 JG Annotated Reactive NS(=O)(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605872 JG Annotated Reactive NS(=O)(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605873 JG Annotated Reactive NS(=O)(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605875 JG Annotated Reactive CS(=O)(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587606392 JG Annotated Reactive CS(=O)(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587606393 JG Annotated Reactive CS(=O)(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587606394 JG Annotated Reactive CS(=O)(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587606395 JG Annotated Reactive CS(=O)(=O)c1cc2c(nc1O)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606650 JG Annotated Anodyne CS(=O)(=O)c1cc2c(nc1O)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606655 JG Annotated Anodyne CS(=O)(=O)c1cc2c(nc1O)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606656 JG Annotated Anodyne CS(=O)(=O)c1cc2c(nc1O)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606658 JG Annotated Anodyne CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2S(C)(=O)=O)CC1 ZINC000587606941 JG Annotated Anodyne CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2S(C)(=O)=O)CC1 ZINC000587606942 JG Annotated Anodyne CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2S(C)(=O)=O)CC1 ZINC000587606943 JG Annotated Anodyne CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2S(C)(=O)=O)CC1 ZINC000587606944 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607175 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607182 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607184 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607185 JG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000587607263 JG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000587607264 JG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000587607265 JG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000587607266 JG Annotated Anodyne CN1CCN(c2cc(S(C)(=O)=O)ccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587607536 JG Annotated Anodyne CN1CCN(c2cc(S(C)(=O)=O)ccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587607540 JG Annotated Anodyne CN1CCN(c2cc(S(C)(=O)=O)ccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587607541 JG Annotated Anodyne CN1CCN(c2cc(S(C)(=O)=O)ccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587607543 JG Annotated Anodyne CCOc1ccccc1S(=O)(=O)N1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587607689 JG Annotated Anodyne CCOc1ccccc1S(=O)(=O)N1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587607691 JG Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607846 JG Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607849 JG Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607850 JG Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607852 JG Annotated Anodyne CS(=O)(=O)[C@H](c1nc2ccccc2[nH]1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608132 JG Annotated Anodyne CS(=O)(=O)[C@H](c1nc2ccccc2[nH]1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608133 JG Annotated Anodyne CS(=O)(=O)[C@H](c1nc2ccccc2[nH]1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608134 JG Annotated Anodyne CS(=O)(=O)[C@H](c1nc2ccccc2[nH]1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608135 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608405 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608409 JG Annotated Anodyne Cc1ncc(COP(=O)(O)O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587608410 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608411 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608412 JG Annotated Anodyne Cc1ncc(COP(=O)(O)O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587608417 JG Annotated Anodyne Cc1ncc(COP(=O)(O)O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587608418 JG Annotated Anodyne Cc1ncc(COP(=O)(O)O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587608420 JG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(S(=O)(=O)Cl)cc12 ZINC000587608421 JG Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(S(=O)(=O)Cl)cc12 ZINC000587608426 JG Annotated Unstable O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc(S(=O)(=O)Cl)cc12 ZINC000587608428 JG Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc(S(=O)(=O)Cl)cc12 ZINC000587608429 JG Annotated Unstable CS(=O)(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608671 JG Annotated Bother CS(=O)(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608672 JG Annotated Bother CS(=O)(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608673 JG Annotated Bother CS(=O)(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608674 JG Annotated Bother C[C@H](NS(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587608675 JG Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587608677 JG Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587608678 JG Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587608680 JG Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608799 JG Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608800 JG Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608801 JG Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608802 JG Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCCCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609020 JG Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCCCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609030 JG Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCCCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609033 JG Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCCCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609034 JG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000587609035 JG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000587609036 JG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000587609037 JG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000587609038 JG Annotated Anodyne CC1(C)O[C@@H]2CO[C@]3(COC(C)(C)O3)[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]2O1 ZINC000587609566 JG Annotated Anodyne CC1(C)O[C@@H]2CO[C@]3(COC(C)(C)O3)[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]2O1 ZINC000587609567 JG Annotated Anodyne CC1(C)O[C@@H]2CO[C@]3(COC(C)(C)O3)[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]2O1 ZINC000587609568 JG Annotated Anodyne CC1(C)O[C@@H]2CO[C@]3(COC(C)(C)O3)[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]2O1 ZINC000587609569 JG Annotated Anodyne CS(=O)(=O)c1cc(N2CCOCC2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609736 JG Annotated Anodyne CS(=O)(=O)c1cc(N2CCOCC2)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609738 JG Annotated Anodyne CS(=O)(=O)c1cc(N2CCOCC2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609739 JG Annotated Anodyne CS(=O)(=O)c1cc(N2CCOCC2)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609740 JG Annotated Anodyne CN1CCN(S(=O)(=O)c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587609743 JG Annotated Anodyne CN1CCN(S(=O)(=O)c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587609746 JG Annotated Anodyne CN1CCN(S(=O)(=O)c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587609748 JG Annotated Anodyne CN1CCN(S(=O)(=O)c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587609751 JG Annotated Anodyne CS(=O)(=O)C[C@]1(c2cncc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609776 JG Annotated Anodyne CS(=O)(=O)C[C@@]1(c2cncc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609779 JG Annotated Anodyne CS(=O)(=O)C[C@@]1(c2cncc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609782 JG Annotated Anodyne CS(=O)(=O)C[C@]1(c2cncc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609785 JG Annotated Anodyne NC(=S)N/N=C(\c1ccccn1)[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610474 JG Annotated Mild NC(=S)N/N=C(\c1ccccn1)[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610477 JG Annotated Mild NC(=S)N/N=C(\c1ccccn1)[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610536 JG Annotated Mild NC(=S)N/N=C(\c1ccccn1)[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610537 JG Annotated Mild Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611171 JG Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611187 JG Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611189 JG Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611191 JG Annotated Anodyne CC1(C)O[C@H]2[C@@H](O1)[C@@H]([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)O[C@@H]1OC(C)(C)O[C@H]21 ZINC000587611534 JG Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611535 JG Annotated Anodyne CC1(C)O[C@H]2[C@@H](O1)[C@@H]([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)O[C@@H]1OC(C)(C)O[C@H]21 ZINC000587611536 JG Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611537 JG Annotated Anodyne COC(=O)[C@]1(c2nc(N)sc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613784 JG Annotated Anodyne COC(=O)[C@]1(c2nc(N)sc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613791 JG Annotated Anodyne COC(=O)[C@@]1(c2nc(N)sc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613792 JG Annotated Anodyne COC(=O)[C@@]1(c2nc(N)sc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613793 JG Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)O1 ZINC000587614222 JG Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)O1 ZINC000587614237 JG Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)O1 ZINC000587614241 JG Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)O1 ZINC000587614249 JG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000587615134 JG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000587615135 JG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000587615136 JG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000587615137 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587616069 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587616073 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587616075 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587616076 JG Annotated Anodyne C[C@H](N1CCN(CCO)CC1)[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616287 JG Annotated Anodyne C[C@H](N1CCN(CCO)CC1)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616288 JG Annotated Anodyne C[C@H](N1CCN(CCO)CC1)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616289 JG Annotated Anodyne C[C@H](N1CCN(CCO)CC1)[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616290 JG Annotated Anodyne COC(=O)Cc1c(CCl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617677 JG Annotated Reactive COC(=O)c1c(CCl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618024 JG Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CNC(=O)CCl)c(C)c2c1 ZINC000587618374 JG Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(S(C)(=O)=O)c2c1 ZINC000587619192 JG Annotated Bother COC(=O)[C@@H](F)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C ZINC000587620298 JG Annotated Bother COC(=O)[C@H](F)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C ZINC000587620303 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3ccc([N+](=O)[O-])n3)c2c1 ZINC000587620448 JG Annotated Bother COC(=O)c1c(-c2cnccn2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620759 JG Annotated Bother COC(=O)[C@H](N=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C ZINC000587620825 JG Annotated Bother COC(=O)[C@@H](N=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C ZINC000587620827 JG Annotated Bother CCOC(=O)c1c(-c2cnn(C)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620829 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3cnn(C)c3)c2c1 ZINC000587620844 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N(C(C)=O)C(C)=O)c2c1 ZINC000587620921 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3cc(C)on3)c2c1 ZINC000587620995 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CC3)c(-n3cncn3)c2c1 ZINC000587621014 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cn(C)nc3C)c(C#N)c2c1 ZINC000587621048 JG Annotated Mild CCOC(=O)c1c(-c2cncn2C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621090 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccnn3C)c(OC)c2c1 ZINC000587621130 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cnn(C)c3)c(C(C)=O)c2c1 ZINC000587621151 JG Annotated Bother CCOC(=O)c1c(-c2ccn(C)n2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621186 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3nccn3C)c(C#N)c2c1 ZINC000587621222 JG Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3cc([N+](=O)[O-])cn3)c2c1 ZINC000587621288 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cnn(C)c3C)c(C#N)c2c1 ZINC000587621495 JG Annotated Mild COC(=O)c1c(-c2cnn(C)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621578 JG Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ncccn3)c2c1 ZINC000587621596 JG Annotated Bother CCOC(=O)[C@@H](C#N)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C ZINC000587621605 JG Annotated Mild CCOC(=O)[C@H](C#N)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C ZINC000587621606 JG Annotated Mild CCOC(=O)c1c(-c2nccn2C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621785 JG Annotated Bother CCCn1cnc2c1c(=O)n(CCCc1c(C)[nH]c3c1c(Br)cc1n[nH]cc13)c(=O)n2C ZINC000587622879 JG Annotated Anodyne CCOC(=O)c1nnn(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c1C(=O)OCC ZINC000587623166 JG Annotated Anodyne Cc1nn(Cn2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)c(C)c1Br ZINC000587651440 JG Annotated Anodyne Nc1nn(Cc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)cc1Br ZINC000587651520 JG Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1N1C(=O)c2ccccc2N/C1=C\N1CCOCC1 ZINC000587651688 JG Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1N1C(=O)c2ccccc2N/C1=C/N1CCOCC1 ZINC000587651690 JG Annotated Anodyne NNC(=O)c1nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(Cl)c(N)c1Cl ZINC000587653580 JG Annotated Reactive O=C(c1[nH]nc([N+](=O)[O-])c1Br)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654688 JG Annotated Bother Cc1cc(-c2nnc(SCC(=O)n3ncc4ccc(Cl)cc4c3=O)n2CC(C)C)nn1C ZINC000587654963 JG Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655143 JG Annotated Bother Nc1cccc(S(=O)(=O)Nc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)c1 ZINC000587655268 JG Annotated Anodyne O=C(c1n[nH]cc1I)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655278 JG Annotated Anodyne Cn1ncc(I)c1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655426 JG Annotated Anodyne Cn1cc(I)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587655478 JG Annotated Anodyne O=C(c1[nH]nc([N+](=O)[O-])c1Br)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656115 JG Annotated Bother CN1CC(=O)N(CCCCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C1=O ZINC000587656141 JG Annotated Anodyne C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657084 JG Annotated Anodyne NNC(=O)c1nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(Cl)c(N)c1Cl ZINC000587657188 JG Annotated Reactive COc1nn(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] ZINC000587657326 JG Annotated Bother NNc1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(Cl)c(N)c1Cl ZINC000587657526 JG Annotated Anodyne COc1nn([C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] ZINC000587657528 JG Annotated Bother COc1nn([C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] ZINC000587657529 JG Annotated Bother O=C(C[S@](=O)Cn1cc(Cl)cn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657705 JG Annotated Anodyne O=C(C[S@@](=O)Cn1cc(Cl)cn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657706 JG Annotated Anodyne Cn1cc(I)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587657926 JG Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000587658204 JG Annotated Anodyne CN(C)S(=O)(=O)c1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587658427 JG Annotated Anodyne CC(C)NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1 ZINC000587658477 JG Annotated Anodyne O=C(CCn1c(O)nc2ccccc2c1=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658486 JG Annotated Anodyne NNC(=O)CCSSCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658493 JG Annotated Reactive O=C(Cn1c(O)nc2ccccc2c1=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658797 JG Annotated Anodyne Cn1ncc(I)c1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658836 JG Annotated Anodyne O=C(c1n[nH]cc1I)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658902 JG Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CC(=O)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587660281 JG Annotated Reactive O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncccc1S(=O)(=O)N1CCCC1 ZINC000587660431 JG Annotated Anodyne O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661022 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587661652 JG Annotated Anodyne O=C(CCn1c(O)nc2ccccc2c1=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661653 JG Annotated Anodyne Cc1nc(N2CCOCC2)sc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661715 JG Annotated Anodyne CC(C)(C)OC(=O)N1CCN(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1 ZINC000587661935 JG Annotated Anodyne Cc1nn(Cn2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c(C)c1[N+](=O)[O-] ZINC000587662036 JG Annotated Bother O=C(c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662099 JG Annotated Bother CN(C)S(=O)(=O)c1cccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000587662195 JG Annotated Anodyne O=C(Cc1csc(N2CCOCC2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662404 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(N)nc(-c4ccccn4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664716 JG Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(CCS(N)(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587665207 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(Br)nn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665829 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nnc(NN)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665933 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C(N)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666046 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(=O)Nc3ccc(OC)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666164 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CN4CCC[C@H]4CO3)c(=O)c3ccccc23)c(O)c1 ZINC000587666404 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)c(=O)c3ccccc23)c(O)c1 ZINC000587666406 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CN4CCC[C@H]4CO3)c(=O)c3ccccc23)c(O)c1 ZINC000587666409 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CN4CCC[C@@H]4CO3)c(=O)c3ccccc23)c(O)c1 ZINC000587666412 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(Cn4cccn4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666470 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666519 JG Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCc4nnc(C)n4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666599 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCc4nnc(C)n4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666603 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCn3ccc([N+](=O)[O-])n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666606 JG Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667011 JG Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)CN3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667065 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)CN3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667072 JG Annotated Anodyne C=C1C=C(C)N2N=C(C(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)NC2=N1 ZINC000587667191 JG Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCC(N)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587667283 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(=O)Nc3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667410 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNC(=O)c3cccnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667436 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3ccc([N+](=O)[O-])n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667488 JG Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)CCn3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667511 JG Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)C(=O)NCc3ccco3)c(=O)c3ccccc23)c(O)c1 ZINC000587667611 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(-n4cnnn4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667652 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667678 JG Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3c([N+](=O)[O-])c(C)nn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667686 JG Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3nn(CC)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587667689 JG Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667712 JG Annotated Bother CCN(CC)c1ccc(-c2nn(-c3nccc(N4CCOCC4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667713 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cccc(S(N)(=O)=O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667734 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(-n4cnnn4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667876 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667927 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCc4nncn4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667961 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCc4nncn4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667962 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc(F)c(N4CCOCC4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667994 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nn(C)c(C)c3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587668052 JG Annotated Bother CCN(CC)c1ccc(-c2nn(-c3ccccc3S(N)(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587668054 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CN3CCN4CCC[C@H]4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587668058 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CN3CCN4CCC[C@@H]4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587668059 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])c(OC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587668106 JG Annotated Bother CCOc1ccc(-c2nn(C(=O)[C@H](C)CN3CCOCC3)c(=O)c3ccccc23)cc1OCC ZINC000587668423 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)CN3CCOCC3)c(=O)c3ccccc23)cc1OCC ZINC000587668428 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nn(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587668628 JG Annotated Bother CCOc1ccc(-c2nn(C(=O)CCCN3C(=O)C=CC3=O)c(=O)c3ccccc23)cc1OCC ZINC000587668634 JG Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3S(N)(=O)=O)c(=O)c3ccccc23)cc1OCC ZINC000587668679 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NCCCN(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587668802 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c([N+](=O)[O-])cnn3C)c(=O)c3ccccc23)cc1OCC ZINC000587668851 JG Annotated Bother CCOc1ccc(-c2nn(C(=O)CCn3cnc([N+](=O)[O-])n3)c(=O)c3ccccc23)cc1OCC ZINC000587668968 JG Annotated Bother CCOc1ccc(-c2nn(C(=O)CCN3CCOCC3)c(=O)c3ccccc23)cc1OCC ZINC000587669183 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3cc(C(=O)OC)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587669219 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3ccc([N+](=O)[O-])n3)c(=O)c3ccccc23)cc1OCC ZINC000587669571 JG Annotated Bother CCOc1ccc(-c2nn(C(=O)CCN3C(=O)NC(C)(C)C3=O)c(=O)c3ccccc23)cc1OCC ZINC000587669576 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)N3CCOCC3)c(=O)c3ccccc23)cc1OCC ZINC000587669717 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)N3CCOCC3)c(=O)c3ccccc23)cc1OCC ZINC000587669718 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)c(=O)c3ccccc23)cc1OCC ZINC000587669730 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)c(=O)c3ccccc23)cc1OCC ZINC000587669731 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C[C@@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587669921 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C[C@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587669922 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c([N+](=O)[O-])c(C)nn3C)c(=O)c3ccccc23)cc1OCC ZINC000587670063 JG Annotated Bother CCOc1ccc(-c2nn(C(=O)c3ccn(Cn4cccn4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670162 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CN3CCN4CCC[C@H]4C3)c(=O)c3ccccc23)cc1OCC ZINC000587670199 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CN3CCN4CCC[C@@H]4C3)c(=O)c3ccccc23)cc1OCC ZINC000587670200 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C3CCN(S(C)(=O)=O)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587670222 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)cc1OCC ZINC000587670326 JG Annotated Bother CCOc1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])c(OC)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670428 JG Annotated Bother CCOc1ccc(-c2nn(C(=O)c3nn(C)c(C)c3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587670519 JG Annotated Bother CCOc1ccc(-c2nn(C(=O)C[C@@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)cc1OCC ZINC000587670637 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C[C@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)cc1OCC ZINC000587670639 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNC(=O)c3cccnc3)c(=O)c3ccccc23)cc1OCC ZINC000587670884 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CN4CCC[C@H]4CO3)c(=O)c3ccccc23)cc1OCC ZINC000587670903 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)c(=O)c3ccccc23)cc1OCC ZINC000587670905 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CN4CCC[C@H]4CO3)c(=O)c3ccccc23)cc1OCC ZINC000587670906 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CN4CCC[C@@H]4CO3)c(=O)c3ccccc23)cc1OCC ZINC000587670907 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NCCCN3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587671245 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CCc4nncn4C3)c(=O)c3ccccc23)cc1OCC ZINC000587671266 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CCc4nncn4C3)c(=O)c3ccccc23)cc1OCC ZINC000587671271 JG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3cc(O)nc(S)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587671427 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C(=O)NCc3ccco3)c(=O)c3ccccc23)cc1OCC ZINC000587671645 JG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCSCCC(=O)NN)c(=O)c3ccccc23)cc1OCC ZINC000587671902 JG Annotated Reactive CCOc1ccc(-c2nn(C(=O)CCCCC(=O)NN)c(=O)c3ccccc23)cc1OCC ZINC000587672416 JG Annotated Reactive CC(C)Cn1c(N)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587684012 JG Annotated Reactive CC(C)Cn1c(N)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587684013 JG Annotated Reactive CC(C)Cn1c(N)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587684014 JG Annotated Reactive CC(C)Cn1c(N)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587684015 JG Annotated Reactive CC(C)Cn1c(N)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587686414 JG Annotated Reactive CC(C)Cn1c(N)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587686415 JG Annotated Reactive CC(C)Cn1c(N)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587686416 JG Annotated Reactive CC(C)Cn1c(N)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587686417 JG Annotated Reactive COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587692173 JG Annotated Anodyne COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587692174 JG Annotated Anodyne COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587692175 JG Annotated Anodyne COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587692176 JG Annotated Anodyne C#CCNC(=O)CN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Cl)ccc21 ZINC000587698271 JG Annotated Mild C#CCNC(=O)CN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Cl)ccc21 ZINC000587698275 JG Annotated Mild C#CCNC(=O)CN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Cl)ccc21 ZINC000587698277 JG Annotated Mild C#CCNC(=O)CN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Cl)ccc21 ZINC000587698279 JG Annotated Mild COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587700132 JG Annotated Anodyne COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587700136 JG Annotated Anodyne COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587700139 JG Annotated Anodyne COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587700142 JG Annotated Anodyne CCCn1c(N)c([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587710900 JG Annotated Anodyne CCCn1c(N)c([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587710901 JG Annotated Anodyne CCCn1c(N)c([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587710902 JG Annotated Anodyne CCCn1c(N)c([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587710903 JG Annotated Anodyne CCCn1c(N)c([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587711988 JG Annotated Anodyne CCCn1c(N)c([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587711989 JG Annotated Anodyne CCCn1c(N)c([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587711990 JG Annotated Anodyne CCCn1c(N)c([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587711991 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)N1 ZINC000587722717 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)N1 ZINC000587722733 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)N1 ZINC000587722736 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)N1 ZINC000587722740 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)N1 ZINC000587722753 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)N1 ZINC000587722756 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)N1 ZINC000587722759 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)N1 ZINC000587722761 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)CC(=O)O)cc2F)N1 ZINC000587724260 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)CC(=O)O)cc2F)N1 ZINC000587724261 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)CC(=O)O)cc2F)N1 ZINC000587724262 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)CC(=O)O)cc2F)N1 ZINC000587724263 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)CC(=O)O)cc2F)N1 ZINC000587725084 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)CC(=O)O)cc2F)N1 ZINC000587725085 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)CC(=O)O)cc2F)N1 ZINC000587725086 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)CC(=O)O)cc2F)N1 ZINC000587725087 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCC(=O)O)(c2ccccc2F)N1 ZINC000587726514 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCC(=O)O)(c2ccccc2F)N1 ZINC000587726515 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCC(=O)O)(c2ccccc2F)N1 ZINC000587726516 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCC(=O)O)(c2ccccc2F)N1 ZINC000587726517 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCC(=O)O)(c2ccccc2F)N1 ZINC000587727260 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCC(=O)O)(c2ccccc2F)N1 ZINC000587727261 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCC(=O)O)(c2ccccc2F)N1 ZINC000587727262 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCC(=O)O)(c2ccccc2F)N1 ZINC000587727263 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CCC(=O)O)c1cc(F)ccc12 ZINC000587730407 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CCC(=O)O)c1cc(F)ccc12 ZINC000587730414 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CCC(=O)O)c1cc(F)ccc12 ZINC000587730416 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CCC(=O)O)c1cc(F)ccc12 ZINC000587730418 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N(c3ccc(F)cc3)N=C2C(=O)O)N1 ZINC000587731840 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N(c3ccc(F)cc3)N=C2C(=O)O)N1 ZINC000587731841 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N(c3ccc(F)cc3)N=C2C(=O)O)N1 ZINC000587731842 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N(c3ccc(F)cc3)N=C2C(=O)O)N1 ZINC000587731843 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N(c3ccc(F)cc3)N=C2C(=O)O)N1 ZINC000587733243 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N(c3ccc(F)cc3)N=C2C(=O)O)N1 ZINC000587733247 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N(c3ccc(F)cc3)N=C2C(=O)O)N1 ZINC000587733250 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N(c3ccc(F)cc3)N=C2C(=O)O)N1 ZINC000587733253 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CCC(=O)O)c1cc(F)ccc12 ZINC000587735945 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CCC(=O)O)c1cc(F)ccc12 ZINC000587735948 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CCC(=O)O)c1cc(F)ccc12 ZINC000587735951 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CCC(=O)O)c1cc(F)ccc12 ZINC000587735954 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1c(N)ccc(N)c1C(=O)c1c(N)ccc(N)c12 ZINC000587744585 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1c(N)ccc(N)c1C(=O)c1c(N)ccc(N)c12 ZINC000587744586 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1c(N)ccc(N)c1C(=O)c1c(N)ccc(N)c12 ZINC000587746272 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1c(N)ccc(N)c1C(=O)c1c(N)ccc(N)c12 ZINC000587746273 JG Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCC(N)=O ZINC000587746851 JG Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCC(N)=O ZINC000587746853 JG Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCC(N)=O ZINC000587746854 JG Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCC(N)=O ZINC000587746855 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747594 JG Annotated Bother COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747595 JG Annotated Bother COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747596 JG Annotated Bother COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747597 JG Annotated Bother COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748039 JG Annotated Bother COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748041 JG Annotated Bother COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748042 JG Annotated Bother COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748044 JG Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCC(N)=O ZINC000587750382 JG Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCC(N)=O ZINC000587750383 JG Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCC(N)=O ZINC000587750386 JG Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCC(N)=O ZINC000587750388 JG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2c(C)nn(C)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753143 JG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2c(C)nn(C)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753149 JG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2c(C)nn(C)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753152 JG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2c(C)nn(C)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753155 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)NCCC(=O)O)Oc3ccccc32)N1 ZINC000587753253 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)NCCC(=O)O)Oc3ccccc32)N1 ZINC000587753256 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)NCCC(=O)O)Oc3ccccc32)N1 ZINC000587753259 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)NCCC(=O)O)Oc3ccccc32)N1 ZINC000587753261 JG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2c(C)nn(C)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753572 JG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2c(C)nn(C)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753576 JG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2c(C)nn(C)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753578 JG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2c(C)nn(C)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753581 JG Annotated Anodyne Cc1nn(CCC(=O)N2CCOCC2)c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753976 JG Annotated Anodyne Cc1nn(CCC(=O)N2CCOCC2)c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753977 JG Annotated Anodyne Cc1nn(CCC(=O)N2CCOCC2)c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753981 JG Annotated Anodyne Cc1nn(CCC(=O)N2CCOCC2)c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753984 JG Annotated Anodyne CCn1nc(C)c([C@@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755269 JG Annotated Anodyne CCn1nc(C)c([C@@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755270 JG Annotated Anodyne CCn1nc(C)c([C@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755271 JG Annotated Anodyne CCn1nc(C)c([C@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755272 JG Annotated Anodyne COc1ccc([C@]2(CNC(=O)CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587755443 JG Annotated Anodyne COc1ccc([C@@]2(CNC(=O)CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587755444 JG Annotated Anodyne COc1ccc([C@@]2(CNC(=O)CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587755445 JG Annotated Anodyne COc1ccc([C@]2(CNC(=O)CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587755446 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)nc(=O)n(Cc3ccccc3)c2N)N1 ZINC000587755534 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)nc(=O)n(Cc3ccccc3)c2N)N1 ZINC000587755539 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)nc(=O)n(Cc3ccccc3)c2N)N1 ZINC000587755540 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)nc(=O)n(Cc3ccccc3)c2N)N1 ZINC000587755541 JG Annotated Anodyne COCCCNC(=O)C1=C(N)Oc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587755723 JG Annotated Anodyne COCCCNC(=O)C1=C(N)Oc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587755727 JG Annotated Anodyne COCCCNC(=O)C1=C(N)Oc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587755729 JG Annotated Anodyne COCCCNC(=O)C1=C(N)Oc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587755732 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)nc(=O)n(Cc3ccccc3)c2N)N1 ZINC000587755901 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)nc(=O)n(Cc3ccccc3)c2N)N1 ZINC000587755902 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)nc(=O)n(Cc3ccccc3)c2N)N1 ZINC000587755903 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)nc(=O)n(Cc3ccccc3)c2N)N1 ZINC000587755904 JG Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587756073 JG Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587756074 JG Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587756075 JG Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587756076 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)nc(=O)n(Cc3ccccc3)c2N)N1 ZINC000587756347 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)nc(=O)n(Cc3ccccc3)c2N)N1 ZINC000587756352 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)nc(=O)n(Cc3ccccc3)c2N)N1 ZINC000587756353 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)nc(=O)n(Cc3ccccc3)c2N)N1 ZINC000587756354 JG Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1nnnn1C ZINC000587756392 JG Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1nnnn1C ZINC000587756397 JG Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1nnnn1C ZINC000587756399 JG Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1nnnn1C ZINC000587756401 JG Annotated Anodyne Cc1nn(C)cc1[C@]1(CCN2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756478 JG Annotated Anodyne Cc1nn(C)cc1[C@@]1(CCN2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756479 JG Annotated Anodyne Cc1nn(C)cc1[C@]1(CCN2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756480 JG Annotated Anodyne Cc1nn(C)cc1[C@@]1(CCN2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756481 JG Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587756740 JG Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587756741 JG Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587756742 JG Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587756743 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)NCCC(=O)O)Oc3ccccc32)N1 ZINC000587756958 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)NCCC(=O)O)Oc3ccccc32)N1 ZINC000587756960 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)NCCC(=O)O)Oc3ccccc32)N1 ZINC000587756961 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)NCCC(=O)O)Oc3ccccc32)N1 ZINC000587756962 JG Annotated Anodyne COc1ccc([C@]2(CNC(=O)CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757334 JG Annotated Anodyne COc1ccc([C@@]2(CNC(=O)CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757337 JG Annotated Anodyne COc1ccc([C@@]2(CNC(=O)CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757341 JG Annotated Anodyne COc1ccc([C@]2(CNC(=O)CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757344 JG Annotated Anodyne CCn1nc(C)c([C@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587758083 JG Annotated Anodyne CCn1nc(C)c([C@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587758085 JG Annotated Anodyne CCn1nc(C)c([C@@]2(CC(=O)C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587758086 JG Annotated Anodyne CCn1nc(C)c([C@@]2(CC(=O)C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587758087 JG Annotated Anodyne Cc1nn(C)cc1[C@@]1(CCN2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758156 JG Annotated Anodyne Cc1nn(C)cc1[C@]1(CCN2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758157 JG Annotated Anodyne Cc1nn(C)cc1[C@@]1(CCN2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758158 JG Annotated Anodyne Cc1nn(C)cc1[C@]1(CCN2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758159 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)nc(=O)n(Cc3ccccc3)c2N)N1 ZINC000587758229 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)nc(=O)n(Cc3ccccc3)c2N)N1 ZINC000587758230 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)nc(=O)n(Cc3ccccc3)c2N)N1 ZINC000587758231 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)nc(=O)n(Cc3ccccc3)c2N)N1 ZINC000587758232 JG Annotated Anodyne COCCCNC(=O)C1=C(N)Oc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758569 JG Annotated Anodyne COCCCNC(=O)C1=C(N)Oc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758571 JG Annotated Anodyne COCCCNC(=O)C1=C(N)Oc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758574 JG Annotated Anodyne COCCCNC(=O)C1=C(N)Oc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758576 JG Annotated Anodyne Cc1nn(CCC(=O)N2CCOCC2)c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759023 JG Annotated Anodyne Cc1nn(CCC(=O)N2CCOCC2)c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759025 JG Annotated Anodyne Cc1nn(CCC(=O)N2CCOCC2)c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759027 JG Annotated Anodyne Cc1nn(CCC(=O)N2CCOCC2)c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759030 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(=O)ON3C(=O)CCC3=O)c2)N1 ZINC000587759265 JG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(=O)ON3C(=O)CCC3=O)c2)N1 ZINC000587759268 JG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(=O)ON3C(=O)CCC3=O)c2)N1 ZINC000587759270 JG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(=O)ON3C(=O)CCC3=O)c2)N1 ZINC000587759272 JG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(=O)ON3C(=O)CCC3=O)c2)N1 ZINC000587759308 JG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(=O)ON3C(=O)CCC3=O)c2)N1 ZINC000587759309 JG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(=O)ON3C(=O)CCC3=O)c2)N1 ZINC000587759310 JG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(=O)ON3C(=O)CCC3=O)c2)N1 ZINC000587759311 JG Annotated Mild Cc1nn(C)c(C)c1[C@@]1(CN2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759826 JG Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(CN2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759827 JG Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(CN2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759828 JG Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(CN2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759829 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)nc(=O)n(CCc3ccccc3)c2N)N1 ZINC000587759942 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)nc(=O)n(CCc3ccccc3)c2N)N1 ZINC000587759943 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)nc(=O)n(CCc3ccccc3)c2N)N1 ZINC000587759944 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)nc(=O)n(CCc3ccccc3)c2N)N1 ZINC000587759945 JG Annotated Anodyne COc1cccc(-n2c(N)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2=O)c1 ZINC000587759966 JG Annotated Anodyne COc1cccc(-n2c(N)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2=O)c1 ZINC000587759974 JG Annotated Anodyne COc1cccc(-n2c(N)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2=O)c1 ZINC000587759976 JG Annotated Anodyne COc1cccc(-n2c(N)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2=O)c1 ZINC000587759978 JG Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(CN2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760376 JG Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(CN2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760377 JG Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(CN2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760379 JG Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(CN2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760380 JG Annotated Anodyne COc1cccc(-n2c(N)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2=O)c1 ZINC000587760975 JG Annotated Anodyne COc1cccc(-n2c(N)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2=O)c1 ZINC000587760976 JG Annotated Anodyne COc1cccc(-n2c(N)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2=O)c1 ZINC000587760977 JG Annotated Anodyne COc1cccc(-n2c(N)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2=O)c1 ZINC000587760978 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761099 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761100 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761101 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761102 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)N1 ZINC000587761310 JG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)N1 ZINC000587761311 JG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)N1 ZINC000587761312 JG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)N1 ZINC000587761313 JG Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1nnnn1C ZINC000587761819 JG Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1nnnn1C ZINC000587761820 JG Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1nnnn1C ZINC000587761821 JG Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1nnnn1C ZINC000587761823 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762322 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762323 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762324 JG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762325 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)nc(=O)n(CCc3ccccc3)c2N)N1 ZINC000587762356 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)nc(=O)n(CCc3ccccc3)c2N)N1 ZINC000587762357 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)nc(=O)n(CCc3ccccc3)c2N)N1 ZINC000587762358 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)nc(=O)n(CCc3ccccc3)c2N)N1 ZINC000587762359 JG Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587763024 JG Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587763025 JG Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587763026 JG Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587763027 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)N1 ZINC000587763354 JG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)N1 ZINC000587763355 JG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)N1 ZINC000587763356 JG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)N1 ZINC000587763357 JG Annotated Mild CCN1C(=O)c2cc(OC)cc(OC)c2[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587763465 JG Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587763467 JG Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587763470 JG Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587763473 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)N3CCOCC3)cc2)N1 ZINC000587763883 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)N3CCOCC3)cc2)N1 ZINC000587763886 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)N3CCOCC3)cc2)N1 ZINC000587763888 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)N3CCOCC3)cc2)N1 ZINC000587763890 JG Annotated Anodyne CCn1ncc([C@]2(CN3CCOCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587764789 JG Annotated Anodyne CCn1ncc([C@@]2(CN3CCOCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587764790 JG Annotated Anodyne CCn1ncc([C@]2(CN3CCOCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587764792 JG Annotated Anodyne CCn1ncc([C@@]2(CN3CCOCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587764793 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765363 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765368 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765374 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765382 JG Annotated Anodyne Cc1ccc(N2C=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C(C(=O)NN)=N2)cc1 ZINC000587766525 JG Annotated Reactive Cc1ccc(N2C=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C(C(=O)NN)=N2)cc1 ZINC000587766528 JG Annotated Reactive Cc1ccc(N2C=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C(C(=O)NN)=N2)cc1 ZINC000587766531 JG Annotated Reactive Cc1ccc(N2C=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C(C(=O)NN)=N2)cc1 ZINC000587766533 JG Annotated Reactive COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCOCC1 ZINC000587766917 JG Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCOCC1 ZINC000587766918 JG Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCOCC1 ZINC000587766919 JG Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCOCC1 ZINC000587766920 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)N3CCOCC3)cc2)N1 ZINC000587767567 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)N3CCOCC3)cc2)N1 ZINC000587767568 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)N3CCOCC3)cc2)N1 ZINC000587767569 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)N3CCOCC3)cc2)N1 ZINC000587767570 JG Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@@]3(CC2=O)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587767699 JG Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@@]3(CC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587767703 JG Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@]3(CC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587767705 JG Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@]3(CC2=O)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587767706 JG Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@@]3(CC2=O)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587767784 JG Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@@]3(CC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587767785 JG Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@]3(CC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587767786 JG Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@]3(CC2=O)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587767787 JG Annotated Anodyne CCn1ncc([C@@]2(CN3CCOCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587767986 JG Annotated Anodyne CCn1ncc([C@]2(CN3CCOCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587767988 JG Annotated Anodyne CCn1ncc([C@@]2(CN3CCOCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587767990 JG Annotated Anodyne CCn1ncc([C@]2(CN3CCOCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587767994 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587768625 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587768626 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587768627 JG Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587768629 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCN2C(=O)[C@H]3[C@@H](N=CN3C)N(C)C2=O)N1 ZINC000587769541 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCN2C(=O)[C@@H]3[C@@H](N=CN3C)N(C)C2=O)N1 ZINC000587769554 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCN2C(=O)[C@H]3[C@H](N=CN3C)N(C)C2=O)N1 ZINC000587769559 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCN2C(=O)[C@@H]3[C@H](N=CN3C)N(C)C2=O)N1 ZINC000587769561 JG Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCOCC1 ZINC000587769644 JG Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCOCC1 ZINC000587769645 JG Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCOCC1 ZINC000587769646 JG Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCOCC1 ZINC000587769647 JG Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc3c(cc21)OCO3 ZINC000587770415 JG Annotated Anodyne CCN1N=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc3c(cc21)OCO3 ZINC000587770419 JG Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc3c(cc21)OCO3 ZINC000587770422 JG Annotated Anodyne CCN1N=C(C(=O)O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc3c(cc21)OCO3 ZINC000587770424 JG Annotated Anodyne Cc1ccc(N2C=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C(C(=O)NN)=N2)cc1 ZINC000587771421 JG Annotated Reactive Cc1ccc(N2C=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C(C(=O)NN)=N2)cc1 ZINC000587771422 JG Annotated Reactive Cc1ccc(N2C=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C(C(=O)NN)=N2)cc1 ZINC000587771423 JG Annotated Reactive Cc1ccc(N2C=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C(C(=O)NN)=N2)cc1 ZINC000587771424 JG Annotated Reactive CCN1N=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc3c(cc21)OCO3 ZINC000587771901 JG Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc3c(cc21)OCO3 ZINC000587771905 JG Annotated Anodyne CCN1N=C(C(=O)O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc3c(cc21)OCO3 ZINC000587771909 JG Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc3c(cc21)OCO3 ZINC000587771913 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(CC(=O)OC(C)(C)C)[C@H](C(=O)O)C2)N1 ZINC000587772789 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(CC(=O)OC(C)(C)C)[C@H](C(=O)O)C2)N1 ZINC000587772790 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(CC(=O)OC(C)(C)C)[C@H](C(=O)O)C2)N1 ZINC000587772791 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(CC(=O)OC(C)(C)C)[C@H](C(=O)O)C2)N1 ZINC000587772792 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(CC(=O)OC(C)(C)C)[C@H](C(=O)O)C2)N1 ZINC000587772855 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(CC(=O)OC(C)(C)C)[C@H](C(=O)O)C2)N1 ZINC000587772858 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(CC(=O)OC(C)(C)C)[C@H](C(=O)O)C2)N1 ZINC000587772860 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(CC(=O)OC(C)(C)C)[C@H](C(=O)O)C2)N1 ZINC000587772862 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCN2C(=O)[C@H]3[C@@H](N=CN3C)N(C)C2=O)N1 ZINC000587773222 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCN2C(=O)[C@@H]3[C@@H](N=CN3C)N(C)C2=O)N1 ZINC000587773223 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCN2C(=O)[C@H]3[C@H](N=CN3C)N(C)C2=O)N1 ZINC000587773224 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCN2C(=O)[C@@H]3[C@H](N=CN3C)N(C)C2=O)N1 ZINC000587773225 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587774040 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587774043 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587774046 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587774048 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587776689 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587776690 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587776691 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587776692 JG Annotated Anodyne CCOCCOCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587778754 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CCOCC4CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587783070 JG Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCOCC3CC3)nc1-2 ZINC000587783171 JG Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587784775 JG Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587786066 JG Annotated Mild COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587786076 JG Annotated Reactive COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587787086 JG Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587788248 JG Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587788363 JG Annotated Anodyne COC(=O)c1c(C)[nH]c(C(=O)C[C@]2(C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587789091 JG Annotated Anodyne COC(=O)c1c(C)[nH]c(C(=O)C[C@@]2(C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587789092 JG Annotated Anodyne COC(=O)c1c(C)[nH]c(C(=O)C[C@]2(C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587789093 JG Annotated Anodyne COC(=O)c1c(C)[nH]c(C(=O)C[C@@]2(C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587789094 JG Annotated Anodyne COC(=O)c1c(C)[nH]c(C(=O)C[C@]2(C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587790051 JG Annotated Anodyne COC(=O)c1c(C)[nH]c(C(=O)C[C@@]2(C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587790052 JG Annotated Anodyne COC(=O)c1c(C)[nH]c(C(=O)C[C@]2(C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587790053 JG Annotated Anodyne COC(=O)c1c(C)[nH]c(C(=O)C[C@@]2(C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587790054 JG Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587790441 JG Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587790445 JG Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587790448 JG Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587790451 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2[nH]c(C)c(C(=O)OC)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790631 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OC)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790632 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2[nH]c(C)c(C(=O)OC)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790633 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OC)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790634 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C(=O)O)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587791122 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\C(=O)O)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587791129 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(=O)O)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587791131 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\C(=O)O)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587791133 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCOCC3)nc3ccccn3c2=O)N1 ZINC000587791343 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCOCC3)nc3ccccn3c2=O)N1 ZINC000587791370 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCOCC3)nc3ccccn3c2=O)N1 ZINC000587791372 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCOCC3)nc3ccccn3c2=O)N1 ZINC000587791374 JG Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587792009 JG Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587792020 JG Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587792022 JG Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587792023 JG Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)C2CC2)[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587792335 JG Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)C2CC2)[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587792345 JG Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)C2CC2)[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587792656 JG Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)C2CC2)[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587792659 JG Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587793596 JG Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587793597 JG Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587793598 JG Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587793599 JG Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587793616 JG Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587793617 JG Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587793618 JG Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587793619 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCOCC3)nc3ccccn3c2=O)N1 ZINC000587794471 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCOCC3)nc3ccccn3c2=O)N1 ZINC000587794472 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCOCC3)nc3ccccn3c2=O)N1 ZINC000587794473 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCOCC3)nc3ccccn3c2=O)N1 ZINC000587794474 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2[nH]c(C)c(C(=O)OC)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795526 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OC)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795527 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2[nH]c(C)c(C(=O)OC)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795529 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OC)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795531 JG Annotated Anodyne CCOC(=O)C1CC(=O)C([C@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)C1 ZINC000587796440 JG Annotated Anodyne CCOC(=O)C1CC(=O)C([C@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)C1 ZINC000587796442 JG Annotated Anodyne CCOC(=O)C1CC(=O)C([C@@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)C1 ZINC000587796445 JG Annotated Anodyne CCOC(=O)C1CC(=O)C([C@@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)C1 ZINC000587796447 JG Annotated Anodyne CCOC(=O)C1CC(=O)C([C@@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)C1 ZINC000587796983 JG Annotated Anodyne CCOC(=O)C1CC(=O)C([C@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)C1 ZINC000587796987 JG Annotated Anodyne CCOC(=O)C1CC(=O)C([C@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)C1 ZINC000587796990 JG Annotated Anodyne CCOC(=O)C1CC(=O)C([C@@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)C1 ZINC000587796992 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(=O)O)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587799564 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C(=O)O)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587799565 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\C(=O)O)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587799766 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\C(=O)O)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587799767 JG Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C(=O)OCC)CC1=O ZINC000587799846 JG Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C(=O)OCC)CC1=O ZINC000587799857 JG Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799859 JG Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799861 JG Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C(=O)OCC)CC1=O ZINC000587800424 JG Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800425 JG Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800426 JG Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](C(=O)OCC)CC1=O ZINC000587800427 JG Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)C2CC2)[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800788 JG Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)C2CC2)[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800789 JG Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)C2CC2)[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800790 JG Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)C2CC2)[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800791 JG Annotated Anodyne COc1cc([C@@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587806541 JG Annotated Anodyne COc1cc([C@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587806542 JG Annotated Anodyne COc1cc([C@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587806543 JG Annotated Anodyne COc1cc([C@@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587806545 JG Annotated Anodyne COc1cc([C@@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587806960 JG Annotated Anodyne COc1cc([C@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587806961 JG Annotated Anodyne COc1cc([C@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587806962 JG Annotated Anodyne COc1cc([C@@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587806963 JG Annotated Anodyne COC(=O)CC(CC(=O)OC)(C(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808552 JG Annotated Anodyne COC(=O)CC(CC(=O)OC)(C(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808557 JG Annotated Anodyne COC(=O)CC(CC(=O)OC)(C(C)=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808561 JG Annotated Anodyne COC(=O)CC(CC(=O)OC)(C(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808564 JG Annotated Anodyne COC(=O)CC(CC(=O)OC)(C(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808996 JG Annotated Anodyne COC(=O)CC(CC(=O)OC)(C(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808998 JG Annotated Anodyne COC(=O)CC(CC(=O)OC)(C(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809000 JG Annotated Anodyne COC(=O)CC(CC(=O)OC)(C(C)=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809002 JG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831983 JG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc3c(c2)OCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831991 JG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc3c(c2)OCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831993 JG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831994 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]([C@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12 ZINC000587832423 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H]([C@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12 ZINC000587832439 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]([C@@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12 ZINC000587832443 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H]([C@@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12 ZINC000587832446 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833090 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833094 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833097 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833100 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834269 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834276 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834277 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834279 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H]([C@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12 ZINC000587834795 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]([C@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12 ZINC000587834796 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H]([C@@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12 ZINC000587834797 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]([C@@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12 ZINC000587834798 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836459 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836460 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836461 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836462 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837049 JG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837050 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837051 JG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837052 JG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837057 JG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc3c(c2)OCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837058 JG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc3c(c2)OCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837059 JG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837060 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H]1OC(C)(C)O[C@@H]1CO[C@]21COC(C)(C)O1 ZINC000587837177 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H]1OC(C)(C)O[C@@H]1CO[C@]21COC(C)(C)O1 ZINC000587837182 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1OC(C)(C)O[C@@H]1CO[C@]21COC(C)(C)O1 ZINC000587837185 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1OC(C)(C)O[C@@H]1CO[C@]21COC(C)(C)O1 ZINC000587837188 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1OC(C)(C)O[C@@H]1CO[C@]21COC(C)(C)O1 ZINC000587837189 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1OC(C)(C)O[C@@H]1CO[C@]21COC(C)(C)O1 ZINC000587837190 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587837941 JG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587837945 JG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587837947 JG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587837948 JG Annotated Reactive CCOc1ccccc1S(=O)(=O)N1CC2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838621 JG Annotated Anodyne CCOc1ccccc1S(=O)(=O)N1CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838622 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC000587839056 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC000587839058 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC000587839059 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC000587839061 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(=O)(=O)NCCC(=O)O)c2)N1 ZINC000587839452 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(=O)(=O)NCCC(=O)O)c2)N1 ZINC000587839457 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(=O)(=O)NCCC(=O)O)c2)N1 ZINC000587839458 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(=O)(=O)NCCC(=O)O)c2)N1 ZINC000587839459 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)N(C)CC(=O)O)cc2)N1 ZINC000587839486 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)N(C)CC(=O)O)cc2)N1 ZINC000587839487 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)N(C)CC(=O)O)cc2)N1 ZINC000587839488 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)N(C)CC(=O)O)cc2)N1 ZINC000587839489 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC000587839506 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC000587839507 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC000587839508 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC000587839509 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)N1 ZINC000587839861 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)N1 ZINC000587839865 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)N1 ZINC000587839867 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)N1 ZINC000587839868 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)N(C)CC(=O)O)cc2)N1 ZINC000587839885 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)N(C)CC(=O)O)cc2)N1 ZINC000587839886 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)N(C)CC(=O)O)cc2)N1 ZINC000587839887 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)N(C)CC(=O)O)cc2)N1 ZINC000587839889 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1OC(C)(C)O[C@@H]1CO[C@]21COC(C)(C)O1 ZINC000587840252 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1OC(C)(C)O[C@@H]1CO[C@]21COC(C)(C)O1 ZINC000587840253 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1OC(C)(C)O[C@@H]1CO[C@]21COC(C)(C)O1 ZINC000587840254 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1OC(C)(C)O[C@@H]1CO[C@]21COC(C)(C)O1 ZINC000587840255 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H]1OC(C)(C)O[C@@H]1CO[C@]21COC(C)(C)O1 ZINC000587840256 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H]1OC(C)(C)O[C@@H]1CO[C@]21COC(C)(C)O1 ZINC000587840257 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(=O)(=O)N3CCOCC3)c2)N1 ZINC000587840433 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(=O)(=O)N3CCOCC3)c2)N1 ZINC000587840438 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(=O)(=O)N3CCOCC3)c2)N1 ZINC000587840439 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(=O)(=O)N3CCOCC3)c2)N1 ZINC000587840441 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(=O)(=O)NCCC(=O)O)c2)N1 ZINC000587840466 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(=O)(=O)NCCC(=O)O)c2)N1 ZINC000587840467 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(=O)(=O)NCCC(=O)O)c2)N1 ZINC000587840468 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(=O)(=O)NCCC(=O)O)c2)N1 ZINC000587840469 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC000587840650 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC000587840651 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC000587840652 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC000587840653 JG Annotated Anodyne CCOc1ccccc1S(=O)(=O)N1CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587840850 JG Annotated Anodyne CCOc1ccccc1S(=O)(=O)N1CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587840851 JG Annotated Anodyne Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587840872 JG Annotated Anodyne Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587840873 JG Annotated Anodyne Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587841026 JG Annotated Anodyne Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587841028 JG Annotated Anodyne COc1ccc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1S(N)(=O)=O ZINC000587841114 JG Annotated Anodyne COc1ccc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1S(N)(=O)=O ZINC000587841115 JG Annotated Anodyne COc1ccc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1S(N)(=O)=O ZINC000587841116 JG Annotated Anodyne COc1ccc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1S(N)(=O)=O ZINC000587841117 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC000587841198 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC000587841199 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC000587841200 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 ZINC000587841201 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2S(=O)(=O)N2CCOCC2)N1 ZINC000587841511 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2S(=O)(=O)N2CCOCC2)N1 ZINC000587841512 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2S(=O)(=O)N2CCOCC2)N1 ZINC000587841514 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2S(=O)(=O)N2CCOCC2)N1 ZINC000587841517 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587841562 JG Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587841563 JG Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587841564 JG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587841565 JG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc2)N1 ZINC000587841594 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc2)N1 ZINC000587841595 JG Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)O ZINC000587841596 JG Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)O ZINC000587841597 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(=N/NC(N)=S)c2ccccn2)(c2ccccn2)N1 ZINC000587841660 JG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C(=N/NC(N)=S)c2ccccn2)(c2ccccn2)N1 ZINC000587841667 JG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(=N/NC(N)=S)c2ccccn2)(c2ccccn2)N1 ZINC000587841669 JG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C(=N/NC(N)=S)c2ccccn2)(c2ccccn2)N1 ZINC000587841671 JG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)N1 ZINC000587841978 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)N1 ZINC000587841980 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)N1 ZINC000587841982 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)N1 ZINC000587841986 JG Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842109 JG Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842112 JG Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842113 JG Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842115 JG Annotated Anodyne COc1ccc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1S(N)(=O)=O ZINC000587842245 JG Annotated Anodyne COc1ccc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1S(N)(=O)=O ZINC000587842246 JG Annotated Anodyne COc1ccc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1S(N)(=O)=O ZINC000587842248 JG Annotated Anodyne COc1ccc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1S(N)(=O)=O ZINC000587842250 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc2)N1 ZINC000587842266 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc2)N1 ZINC000587842268 JG Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)O ZINC000587842270 JG Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)O ZINC000587842272 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2S(=O)(=O)N2CCOCC2)N1 ZINC000587842692 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2S(=O)(=O)N2CCOCC2)N1 ZINC000587842693 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2S(=O)(=O)N2CCOCC2)N1 ZINC000587842694 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2S(=O)(=O)N2CCOCC2)N1 ZINC000587842695 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(SCC(=O)O)ccc12 ZINC000587842734 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(SCC(=O)O)ccc12 ZINC000587842735 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(SCC(=O)O)ccc12 ZINC000587842736 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(SCC(=O)O)ccc12 ZINC000587842737 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(=O)(=O)N3CCOCC3)c2)N1 ZINC000587843029 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(=O)(=O)N3CCOCC3)c2)N1 ZINC000587843031 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(=O)(=O)N3CCOCC3)c2)N1 ZINC000587843032 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(=O)(=O)N3CCOCC3)c2)N1 ZINC000587843033 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCS(=O)(=O)CC3)cc2)N1 ZINC000587843782 JG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCS(=O)(=O)CC3)cc2)N1 ZINC000587843786 JG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCS(=O)(=O)CC3)cc2)N1 ZINC000587843787 JG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCS(=O)(=O)CC3)cc2)N1 ZINC000587843790 JG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(=N/NC(N)=S)c2ccccn2)(c2ccccn2)N1 ZINC000587845028 JG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C(=N/NC(N)=S)c2ccccn2)(c2ccccn2)N1 ZINC000587845030 JG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(=N/NC(N)=S)c2ccccn2)(c2ccccn2)N1 ZINC000587845031 JG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C(=N/NC(N)=S)c2ccccn2)(c2ccccn2)N1 ZINC000587845032 JG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12 ZINC000587845352 JG Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12 ZINC000587845367 JG Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12 ZINC000587845373 JG Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12 ZINC000587845378 JG Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)cc2N2CCOCC2)N1 ZINC000587845941 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)cc2N2CCOCC2)N1 ZINC000587845942 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)cc2N2CCOCC2)N1 ZINC000587845944 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)cc2N2CCOCC2)N1 ZINC000587845946 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2C(=O)c3ccccc3S2(=O)=O)N1 ZINC000587846097 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2C(=O)c3ccccc3S2(=O)=O)N1 ZINC000587846102 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2C(=O)c3ccccc3S2(=O)=O)N1 ZINC000587846103 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2C(=O)c3ccccc3S2(=O)=O)N1 ZINC000587846104 JG Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846209 JG Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846211 JG Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846212 JG Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846213 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12 ZINC000587846332 JG Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12 ZINC000587846333 JG Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12 ZINC000587846334 JG Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12 ZINC000587846335 JG Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)c(S(C)(=O)=O)c2)N1 ZINC000587846379 JG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)c(S(C)(=O)=O)c2)N1 ZINC000587846381 JG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)c(S(C)(=O)=O)c2)N1 ZINC000587846382 JG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)c(S(C)(=O)=O)c2)N1 ZINC000587846383 JG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(O)c(S(C)(=O)=O)cc32)N1 ZINC000587846472 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(O)c(S(C)(=O)=O)cc32)N1 ZINC000587846482 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(O)c(S(C)(=O)=O)cc32)N1 ZINC000587846485 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(O)c(S(C)(=O)=O)cc32)N1 ZINC000587846488 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@@H](C)N2CCN(CCO)CC2)N1 ZINC000587846808 JG Annotated Anodyne C[C@H](N1CCN(CCO)CC1)[C@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846809 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)([C@@H](C)N2CCN(CCO)CC2)N1 ZINC000587846810 JG Annotated Anodyne C[C@H](N1CCN(CCO)CC1)[C@@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846811 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)c(S(C)(=O)=O)c2)N1 ZINC000587847115 JG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)c(S(C)(=O)=O)c2)N1 ZINC000587847116 JG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)c(S(C)(=O)=O)c2)N1 ZINC000587847117 JG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)c(S(C)(=O)=O)c2)N1 ZINC000587847118 JG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(O)c(S(C)(=O)=O)cc32)N1 ZINC000587847127 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(O)c(S(C)(=O)=O)cc32)N1 ZINC000587847128 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(O)c(S(C)(=O)=O)cc32)N1 ZINC000587847129 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(O)c(S(C)(=O)=O)cc32)N1 ZINC000587847130 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(SCC(=O)O)ccc12 ZINC000587847218 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(SCC(=O)O)ccc12 ZINC000587847219 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(SCC(=O)O)ccc12 ZINC000587847220 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(SCC(=O)O)ccc12 ZINC000587847221 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCS(=O)(=O)CC3)cc2)N1 ZINC000587847367 JG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCS(=O)(=O)CC3)cc2)N1 ZINC000587847368 JG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCS(=O)(=O)CC3)cc2)N1 ZINC000587847369 JG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCS(=O)(=O)CC3)cc2)N1 ZINC000587847370 JG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2C(=O)c3ccccc3S2(=O)=O)N1 ZINC000587847435 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2C(=O)c3ccccc3S2(=O)=O)N1 ZINC000587847436 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2C(=O)c3ccccc3S2(=O)=O)N1 ZINC000587847437 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2C(=O)c3ccccc3S2(=O)=O)N1 ZINC000587847438 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)cc2S(C)(=O)=O)N1 ZINC000587847507 JG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)cc2S(C)(=O)=O)N1 ZINC000587847512 JG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)cc2S(C)(=O)=O)N1 ZINC000587847516 JG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)cc2S(C)(=O)=O)N1 ZINC000587847520 JG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)([C@@H](C)N2CCN(CCO)CC2)N1 ZINC000587847565 JG Annotated Anodyne C[C@H](N1CCN(CCO)CC1)[C@@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847569 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@@H](C)N2CCN(CCO)CC2)N1 ZINC000587847571 JG Annotated Anodyne C[C@H](N1CCN(CCO)CC1)[C@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847573 JG Annotated Anodyne Cc1ncc(COP(=O)(O)O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587847576 JG Annotated Anodyne Cc1ncc(COP(=O)(O)O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587847591 JG Annotated Anodyne Cc1ncc(COP(=O)(O)O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587847595 JG Annotated Anodyne Cc1ncc(COP(=O)(O)O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587847601 JG Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847655 JG Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847667 JG Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847673 JG Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847679 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)cc2N2CCN(C)CC2)N1 ZINC000587848830 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)cc2N2CCN(C)CC2)N1 ZINC000587848832 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)cc2N2CCN(C)CC2)N1 ZINC000587848834 JG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)cc2N2CCN(C)CC2)N1 ZINC000587848836 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)cc2N2CCN(C)CC2)N1 ZINC000587849722 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)cc2N2CCN(C)CC2)N1 ZINC000587849723 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)cc2N2CCN(C)CC2)N1 ZINC000587849724 JG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)cc2N2CCN(C)CC2)N1 ZINC000587849725 JG Annotated Anodyne Cc1ncc(COP(=O)(O)O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587850062 JG Annotated Anodyne Cc1ncc(COP(=O)(O)O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587850063 JG Annotated Anodyne Cc1ncc(COP(=O)(O)O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587850064 JG Annotated Anodyne Cc1ncc(COP(=O)(O)O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587850065 JG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 ZINC000587850305 JG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 ZINC000587850313 JG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 ZINC000587850315 JG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 ZINC000587850316 JG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587850417 JG Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587850427 JG Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587850429 JG Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587850431 JG Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)c(S(C)(=O)=O)c2)N1 ZINC000587850624 JG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)c(S(C)(=O)=O)c2)N1 ZINC000587850625 JG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)c(S(C)(=O)=O)c2)N1 ZINC000587850627 JG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)c(S(C)(=O)=O)c2)N1 ZINC000587850629 JG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587850690 JG Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587850692 JG Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587850694 JG Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587850696 JG Annotated Bother Cc1nn(CCS(C)(=O)=O)c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850816 JG Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850817 JG Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850818 JG Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850819 JG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 ZINC000587851068 JG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 ZINC000587851069 JG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 ZINC000587851070 JG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 ZINC000587851071 JG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2S(C)(=O)=O)N1 ZINC000587851319 JG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2S(C)(=O)=O)N1 ZINC000587851320 JG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2S(C)(=O)=O)N1 ZINC000587851321 JG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2S(C)(=O)=O)N1 ZINC000587851322 JG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)c(S(C)(=O)=O)c2)N1 ZINC000587851448 JG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)c(S(C)(=O)=O)c2)N1 ZINC000587851449 JG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)c(S(C)(=O)=O)c2)N1 ZINC000587851472 JG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)c(S(C)(=O)=O)c2)N1 ZINC000587851475 JG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)cc2S(C)(=O)=O)N1 ZINC000587851907 JG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)cc2S(C)(=O)=O)N1 ZINC000587851908 JG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)cc2S(C)(=O)=O)N1 ZINC000587851909 JG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)cc2S(C)(=O)=O)N1 ZINC000587851910 JG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)cc2S(C)(=O)=O)N1 ZINC000587852290 JG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)cc2S(C)(=O)=O)N1 ZINC000587852291 JG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)cc2S(C)(=O)=O)N1 ZINC000587852292 JG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)cc2S(C)(=O)=O)N1 ZINC000587852293 JG Annotated Clean COC(=O)[C@]1(c2nc(N)sc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852870 JG Annotated Anodyne COC(=O)[C@@]1(c2nc(N)sc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852871 JG Annotated Anodyne COC(=O)[C@@]1(c2nc(N)sc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852872 JG Annotated Anodyne COC(=O)[C@]1(c2nc(N)sc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852873 JG Annotated Anodyne COC(=O)[C@]1(c2nc(N)sc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854864 JG Annotated Anodyne COC(=O)[C@@]1(c2nc(N)sc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854868 JG Annotated Anodyne COC(=O)[C@@]1(c2nc(N)sc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854871 JG Annotated Anodyne COC(=O)[C@]1(c2nc(N)sc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854875 JG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(Cn2cnc([N+](=O)[O-])n2)n1 ZINC000587859602 JG Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000587860507 JG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(C(=O)NN)c(Cl)c(N)c1Cl ZINC000587861452 JG Annotated Reactive COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CS(=O)(=O)Cn1cc(Cl)cn1 ZINC000587863344 JG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Cl)cc(C(=O)NN)n1 ZINC000587864038 JG Annotated Reactive CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncccc1S(=O)(=O)N1CCN(C)CC1 ZINC000587866066 JG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000587866089 JG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN1CCN(c2ncccn2)CC1 ZINC000587867180 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(Cn2cc(Br)cn2)n1 ZINC000587867185 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2c1c(Br)nn2C ZINC000587867221 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1[nH]nc([N+](=O)[O-])c1Br ZINC000587867382 JG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cc(=O)n(-c2ccc(F)cc2)[nH]1 ZINC000587867388 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000587867787 JG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(Cn2cc(Cl)cn2)n1 ZINC000587868380 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nc(NN)c(Cl)c(N)c1Cl ZINC000587868550 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000587868701 JG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(Cn2nc(C)c([N+](=O)[O-])c2C)n1 ZINC000587868728 JG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000587868862 JG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C ZINC000587869067 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1c(O)nc2ccccc2c1=O ZINC000587869068 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000587869088 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(=O)(=O)NCc2ccco2)cn1 ZINC000587869097 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc1 ZINC000587869121 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 ZINC000587869134 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587869409 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000587869425 JG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(Cn2cc(Br)cn2)n1 ZINC000587869495 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000587869504 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCN(C(=O)c2ccccc2)CC1 ZINC000587869625 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1csc(N2CCOCC2)n1 ZINC000587869670 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1ccc(N2C(=O)C=CC2=O)cc1 ZINC000587869685 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1S(=O)(=O)N1CCCC1 ZINC000587869763 JG Annotated Anodyne COCCn1c(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc(=O)c2c(C)cc(C)nc21 ZINC000587869766 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2cc(S(=O)(=O)N(C)C)ccc2o1 ZINC000587870021 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O ZINC000587870044 JG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000587870213 JG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(Cn2nc(C)c([N+](=O)[O-])c2C)n1 ZINC000587871121 JG Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(S(=O)(=O)NCCN(CC)CC)cc1 ZINC000587871593 JG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O ZINC000587872430 JG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000587872639 JG Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000587872658 JG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCCN(S(=O)(=O)c2cn(CC)nc2C)C1 ZINC000587872714 JG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCCN(S(=O)(=O)c2cn(CC)nc2C)C1 ZINC000587872718 JG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000587873001 JG Annotated Anodyne CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)n3nc4cc3oc3ccc(F)cc43)C2)c(C)n1 ZINC000587874705 JG Annotated Anodyne CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)n3nc4cc3oc3ccc(F)cc43)C2)c(C)n1 ZINC000587874709 JG Annotated Anodyne CCOC(=O)c1nn(C(=O)c2ccn(COc3cc(C)ccc3Cl)n2)c(OCC)c1C#N ZINC000587874969 JG Annotated Mild CCOC(=O)c1nn(C(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)c(OCC)c1C#N ZINC000587875076 JG Annotated Mild CCOC(=O)c1nn(C(=O)[C@@H](CC)n2nc(C)c(Br)c2C)c(OCC)c1C#N ZINC000587875753 JG Annotated Mild CCOC(=O)c1nn(C(=O)[C@H](CC)n2nc(C)c(Br)c2C)c(OCC)c1C#N ZINC000587875755 JG Annotated Mild O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875820 JG Annotated Anodyne CCn1cnc2c1c(=O)n(CC(=O)n1nc3cc1oc1ccc(F)cc31)c(=O)n2Cc1ccccc1 ZINC000587876276 JG Annotated Anodyne CCn1c(CCn2cc([N+](=O)[O-])cn2)nnc1SCC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587876619 JG Annotated Bother CCN(CC)CCNS(=O)(=O)c1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587876641 JG Annotated Anodyne CCOC(=O)c1nn(C(=O)c2ccn(COc3ccc(Br)cc3)n2)c(OCC)c1C#N ZINC000587877003 JG Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)c(C(=O)O)c1OC ZINC000587877084 JG Annotated Mild Cc1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OCC(=O)NN ZINC000587877275 JG Annotated Reactive Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)NN ZINC000587877352 JG Annotated Reactive NC(=O)c1cc(Br)c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877388 JG Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c([N+](=O)[O-])c1 ZINC000587877399 JG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)c([N+](=O)[O-])c1 ZINC000587877406 JG Annotated Mild CCOC(=O)COc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C=O)cc1OC ZINC000587877483 JG Annotated Mild COC(=O)c1cc([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC ZINC000587877576 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000587877589 JG Annotated Mild CCOc1cc(C=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OCC(=O)N(C)C ZINC000587877757 JG Annotated Mild CCOC(=O)C(=O)c1cc(OC)c(OC)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877805 JG Annotated Mild CNc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)OC)cc1[N+](=O)[O-] ZINC000587878092 JG Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)c([N+](=O)[O-])c1 ZINC000587878110 JG Annotated Mild COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878351 JG Annotated Mild Cn1cc(C(=O)Oc2ccc(C(=O)O)cc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587878443 JG Annotated Mild CC(C)(C)c1ccc(OCC(=O)NN)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878661 JG Annotated Reactive CCOC(=O)[C@@H](O)c1ccc(OC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878753 JG Annotated Mild CCOC(=O)[C@H](O)c1ccc(OC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878754 JG Annotated Mild COc1ccc([C@H](CC(=O)O)C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878838 JG Annotated Mild COc1ccc([C@@H](CC(=O)O)C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878839 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000587878875 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1COC(=O)ON1C(=O)CCC1=O ZINC000587879037 JG Annotated Mild O=C(CCl)NCC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879417 JG Annotated Reactive COC(=O)c1n[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c([N+](=O)[O-])c12 ZINC000587879514 JG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1OC ZINC000587879968 JG Annotated Mild CCOC(=O)C(=O)CC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880111 JG Annotated Mild Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587880256 JG Annotated Mild Cc1ccc(NC(=O)[C@H]2CCC(=O)N2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587880257 JG Annotated Mild COC(=O)c1ccc(N2CCOCC2)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880324 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])c(C(=O)O)c([N+](=O)[O-])c1 ZINC000587880637 JG Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)N1CCOCC1 ZINC000587880651 JG Annotated Mild COC(=O)COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)OC ZINC000587881034 JG Annotated Mild COC(=O)C(C(=O)OC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587881067 JG Annotated Mild COC(=O)c1nc(N)c(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881230 JG Annotated Mild COC(=O)CN(C)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000587881260 JG Annotated Mild COC(=O)[C@@H](C#N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587881291 JG Annotated Mild COC(=O)[C@H](C#N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587881292 JG Annotated Mild C[C@@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl)C(=O)NN ZINC000587881385 JG Annotated Reactive C[C@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl)C(=O)NN ZINC000587881387 JG Annotated Reactive Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1NC(=O)[C@@H]1CCC(=O)N1 ZINC000587881408 JG Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1NC(=O)[C@H]1CCC(=O)N1 ZINC000587881409 JG Annotated Mild CN(CC(=O)O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000587881475 JG Annotated Mild COC(=O)c1nc(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587881573 JG Annotated Mild CC(C)(NC(=O)NCc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O ZINC000587881826 JG Annotated Mild Cc1[nH]n(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)c(=O)c1CC(=O)O ZINC000587881859 JG Annotated Mild COC(=O)[C@H]1CC(=O)N(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)C1 ZINC000587882102 JG Annotated Mild COC(=O)[C@@H]1CC(=O)N(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)C1 ZINC000587882104 JG Annotated Mild Nc1ncc(C(=O)O)c(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)n1 ZINC000587882108 JG Annotated Mild COC(=O)c1cnc(N)nc1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882130 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1 ZINC000587882690 JG Annotated Mild COC(=O)C(C(=O)OC)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC ZINC000587883118 JG Annotated Mild COC(=O)c1cnc(N)nc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883639 JG Annotated Mild Nc1nc(O)c2nc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)[nH]c2n1 ZINC000587883756 JG Annotated Mild Nc1ncc(C(=O)O)c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000587883813 JG Annotated Mild C[C@H](NC(=O)CCC(=O)O)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884194 JG Annotated Mild C[C@@H](NC(=O)CCC(=O)O)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884195 JG Annotated Mild COCCN[C@](C)(C(=O)OC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884309 JG Annotated Mild COCCN[C@@](C)(C(=O)OC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884311 JG Annotated Mild CCOC(=O)[C@@H]1Cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2NC1=O ZINC000587884654 JG Annotated Mild CCOC(=O)[C@H]1Cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2NC1=O ZINC000587884660 JG Annotated Mild COC(=O)/C=C\ON=C(N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884832 JG Annotated Mild COC(=O)/C=C/ON=C(N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884834 JG Annotated Mild O=C(O)CCCN1C(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C1=O ZINC000587885069 JG Annotated Mild CCn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(-c2ccnc3cc(C(=O)O)nn23)n1 ZINC000587885126 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(N3C[C@@H](C(=O)O)CC3=O)n[nH]c2c1 ZINC000587885154 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(N3C[C@H](C(=O)O)CC3=O)n[nH]c2c1 ZINC000587885162 JG Annotated Mild COCCN[C@@H](C(=O)OC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885201 JG Annotated Mild COCCN[C@H](C(=O)OC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885206 JG Annotated Mild CCOC(=O)C(=O)CC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885271 JG Annotated Mild Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)Oc2ccc(C=O)cc2)n1 ZINC000587885460 JG Annotated Mild O=Cc1ccc(Cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c([N+](=O)[O-])n2)o1 ZINC000587885564 JG Annotated Mild COC(=O)c1ccc(Cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c([N+](=O)[O-])n2)o1 ZINC000587885597 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cn(Cc2ccc(C(=O)O)o2)nc1[N+](=O)[O-] ZINC000587885880 JG Annotated Mild NNC(=O)COc1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1 ZINC000587885931 JG Annotated Reactive NNC(=O)c1ccc(COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)o1 ZINC000587886155 JG Annotated Reactive COC(=O)[C@@H](N)Cc1c[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886546 JG Annotated Mild COC(=O)[C@H](N)Cc1c[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886547 JG Annotated Mild Cc1[nH]n(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c(=O)c1CCO ZINC000587886833 JG Annotated Mild CC(C)(C)C(=O)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1C#CCO ZINC000587887172 JG Annotated Mild CCOC(=O)c1cnn(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c1N ZINC000587887314 JG Annotated Mild CC(C)(C)OC(=O)NNc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887381 JG Annotated Reactive COC(=O)C1CCN(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)CC1 ZINC000587887530 JG Annotated Mild CCOCCNc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587887567 JG Annotated Mild CC1(C)OC(=O)C(=CNc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)C(=O)O1 ZINC000587887607 JG Annotated Mild CCOC(=O)[C@@H](O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)OCO2 ZINC000587887787 JG Annotated Mild CCOC(=O)[C@H](O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)OCO2 ZINC000587887797 JG Annotated Mild NNC(=O)COc1ccc2ccccc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587887855 JG Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc2c1OCC(=O)NC2=O ZINC000587887877 JG Annotated Mild CCOC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2nc1NN ZINC000587887912 JG Annotated Mild COC(=O)c1cc(OC)c2c(c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)OCO2 ZINC000587888241 JG Annotated Mild CCOC(=O)Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cncc1[N+](=O)[O-] ZINC000587888576 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c2c(c1)C(=O)NC(=O)CO2 ZINC000587888699 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)nc2c1OCC(=O)N2 ZINC000587888794 JG Annotated Mild CCOC(CNC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c[nH]1)OCC ZINC000587888832 JG Annotated Mild CCOC(=O)c1c[nH]c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2c1=O ZINC000587888874 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(NC2=NCCN2)ccc2nccnc12 ZINC000587888986 JG Annotated Mild COC(=O)c1nc(Br)cnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889082 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(N2CCOCC2)c2c(n1)CCCN2 ZINC000587889299 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c2c(n1)NC(=O)CO2 ZINC000587889448 JG Annotated Mild O=C/C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C\Nc1cnc(Br)cn1 ZINC000587889559 JG Annotated Reactive O=C/C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C/Nc1cnc(Br)cn1 ZINC000587889562 JG Annotated Reactive CCOC(=O)c1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1Br ZINC000587889573 JG Annotated Mild O=C/C(Br)=C/Nc1cnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587889685 JG Annotated Reactive O=C/C(Br)=C\Nc1cnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587889686 JG Annotated Reactive COC(=O)c1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1Br ZINC000587889856 JG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)c(Br)n1 ZINC000587889862 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)nc([N+](=O)[O-])c1O ZINC000587890130 JG Annotated Mild COC(=O)c1ncc(Br)nc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890132 JG Annotated Mild COC(=O)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1Br ZINC000587890143 JG Annotated Mild COC(=O)c1cnn([C@@H]2CCCCO2)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890163 JG Annotated Mild COC(=O)c1cnn([C@H]2CCCCO2)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890164 JG Annotated Mild COC(=O)c1cc(Br)c(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587890196 JG Annotated Mild CCOC(=O)c1cnn(-c2ccccn2)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890202 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(O)c([N+](=O)[O-])n1 ZINC000587890207 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)nc(Br)c1O ZINC000587890222 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)cc2c(=O)[nH]ccn12 ZINC000587890314 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])c(Br)c[n+]1[O-] ZINC000587890353 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c[n+]([O-])c(Br)cc1[N+](=O)[O-] ZINC000587890356 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(=O)[nH]ccn2c1Br ZINC000587890421 JG Annotated Mild C=CCn1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1=O ZINC000587890514 JG Annotated Mild CCOC(=O)c1cn(C)c(=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Cl ZINC000587890677 JG Annotated Mild CCOC(=O)c1nc2ccc([N+](=O)[O-])cn2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890702 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)nc2nc[nH]c(O)c1-2 ZINC000587890917 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1[nH]c2ncnc(O)c2c1Br ZINC000587890924 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=C[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(Br)C1=O ZINC000587891097 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=C[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(Br)C1=O ZINC000587891098 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=C[C@H]2[C@H](C1=O)[C@H]1C=C[C@@]2(Br)C1=O ZINC000587891099 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=C[C@@H]2[C@H](C1=O)[C@H]1C=C[C@@]2(Br)C1=O ZINC000587891100 JG Annotated Mild CCOC(=O)c1cn2cc([N+](=O)[O-])cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2n1 ZINC000587891109 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1nc(Br)cn2cc(CO)nc12 ZINC000587891159 JG Annotated Mild N#Cc1cn2cc(Br)nc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2n1 ZINC000587891183 JG Annotated Mild CC1(C)O[C@@H]2[C@H](O1)C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C[C@H](N=[N+]=[N-])[C@H]2O ZINC000587891250 JG Annotated Mild N#Cc1cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nc(Br)c2n1 ZINC000587891274 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cn2cc(CO)nc2c(Br)n1 ZINC000587891326 JG Annotated Mild CCOC(=O)c1cnc2c(C)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2c1=O ZINC000587891343 JG Annotated Mild CN(C)[C@@H](N)CNc1ncc(C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891374 JG Annotated Mild CN(C)[C@H](N)CNc1ncc(C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891375 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)Cl ZINC000587891733 JG Annotated Unstable NS(=O)(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC000587891908 JG Annotated Mild NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892060 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ncccc1OS(=O)(=O)OC(F)(F)F ZINC000587892284 JG Annotated Mild Nc1cc(S(=O)(=O)C(F)(F)F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587892631 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)c(F)c(S(=O)(=O)Cl)c1 ZINC000587892763 JG Annotated Unstable CS(=O)(=O)c1cc([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587893045 JG Annotated Mild NS(=O)(=O)c1cc(C(F)(F)F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587893081 JG Annotated Mild NS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587893169 JG Annotated Mild CS(=O)(=O)c1cc([N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1F ZINC000587893573 JG Annotated Mild COC(=O)/C(=C/c1ccc(F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)NC(C)=O ZINC000587894609 JG Annotated Mild COC(=O)/C(=C\c1ccc(F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)NC(C)=O ZINC000587894610 JG Annotated Mild C[C@@H](C(=O)O)S(=O)(=O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587894942 JG Annotated Mild C[C@H](C(=O)O)S(=O)(=O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587894944 JG Annotated Mild O=C(O)CCS(=O)(=O)Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587894973 JG Annotated Mild C[C@@H](CS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587894980 JG Annotated Mild C[C@H](CS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587894982 JG Annotated Mild CC(C)(C(=O)O)S(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587895188 JG Annotated Mild CC(C)(CN)S(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587895250 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)N2CCCC2=O)s1 ZINC000587895275 JG Annotated Mild CCOC(=O)CS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587895282 JG Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)c1 ZINC000587895283 JG Annotated Unstable NNC(=O)c1scc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Br ZINC000587895404 JG Annotated Reactive COc1c(Cl)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(N)(=O)=O ZINC000587895428 JG Annotated Mild NNC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)s1 ZINC000587895505 JG Annotated Reactive COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1N1CCCS1(=O)=O ZINC000587895512 JG Annotated Mild O=C(O)CCCS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587895541 JG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(=O)(=O)Cl)c1 ZINC000587895550 JG Annotated Unstable COC(=O)c1cc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000587895589 JG Annotated Unstable COC(=O)c1cc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587895713 JG Annotated Unstable COC(=O)c1ccc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587895750 JG Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)ccc1C(=O)O ZINC000587895802 JG Annotated Unstable COc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1I ZINC000587895831 JG Annotated Mild CN(C)S(=O)(=O)c1ccc(-n2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000587895844 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CNC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000587895955 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CNC[C@H]2CCS(=O)(=O)C2)c1 ZINC000587895959 JG Annotated Mild CC(C)(C)NS(=O)(=O)c1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896064 JG Annotated Mild Cc1ccc(S(=O)(=O)n2cnc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cc1 ZINC000587896082 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1S(=O)(=O)Cl)OCCO2 ZINC000587896191 JG Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2[nH]c(O)nc2cc1S(=O)(=O)Cl ZINC000587896196 JG Annotated Unstable COC(=O)CCS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896272 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)O)cc1S(=O)(=O)Cl ZINC000587896299 JG Annotated Unstable Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1-c1nnc(S)nc1O ZINC000587896379 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)cc1C(=O)O ZINC000587896476 JG Annotated Unstable NS(=O)(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1Br ZINC000587896503 JG Annotated Mild C[C@@H](C(=O)O)S(=O)(=O)Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896530 JG Annotated Mild C[C@H](C(=O)O)S(=O)(=O)Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896532 JG Annotated Mild COC(=O)CCCS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896588 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1sc(C(=O)O)cc1S(=O)(=O)Cl ZINC000587896626 JG Annotated Unstable Cc1ccc(S(=O)(=O)Nc2cnc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000587896639 JG Annotated Mild CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896691 JG Annotated Mild NS(=O)(=O)c1cc(Br)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896700 JG Annotated Mild COC(=O)c1cc(S(=O)(=O)Cl)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896726 JG Annotated Unstable COCCn1c(S)nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587896785 JG Annotated Mild COC(=O)c1cc(=O)c2c(F)ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2[nH]1 ZINC000587896795 JG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)s1 ZINC000587896821 JG Annotated Unstable COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1S(=O)(=O)Cl ZINC000587896823 JG Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)ccc1S(=O)(=O)Cl ZINC000587896827 JG Annotated Unstable C[C@@H](O)Cn1c(S)nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587896883 JG Annotated Mild C[C@H](O)Cn1c(S)nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587896885 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1 ZINC000587896888 JG Annotated Unstable COCCCNS(=O)(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896893 JG Annotated Mild CC(=O)N[C@@H](CSc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587896936 JG Annotated Mild CC(=O)N[C@H](CSc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587896946 JG Annotated Mild CS(=O)(=O)CC[C@@H](Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O ZINC000587896989 JG Annotated Mild CS(=O)(=O)CC[C@H](Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O ZINC000587896994 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)sc1S(=O)(=O)Cl ZINC000587896998 JG Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CC2)c1 ZINC000587897003 JG Annotated Mild COC(=O)c1sc(N)c(C(=O)OC)c1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897124 JG Annotated Mild O=C(O)CSCC(=O)Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897134 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CN2CCCS2(=O)=O)cc1 ZINC000587897146 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CCNS(=O)(=O)C2CC2)cc1 ZINC000587897195 JG Annotated Mild CC(C)CNS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)O)c1 ZINC000587897203 JG Annotated Mild NNC(=O)c1cc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897232 JG Annotated Reactive CSc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(=O)n1CC(=O)OC(C)(C)C ZINC000587897250 JG Annotated Mild CN[C@H]1CCS(=O)(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587897267 JG Annotated Mild CN[C@@H]1CCS(=O)(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587897268 JG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000587897304 JG Annotated Mild CS(=O)(=O)NC1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000587897340 JG Annotated Mild CCNS(=O)(=O)c1ccc(-n2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000587897365 JG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(C)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587902382 JG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)c2c1Cl ZINC000587903159 JG Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)O)c1 ZINC000587905342 JG Annotated Reactive COc1ccc(Cl)cc1C#Cc1cccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)O)c1 ZINC000587905343 JG Annotated Reactive CCN(c1ccc(-c2csc(CCN3C(=O)c4ccccc4C3=O)n2)cc1)S(C)(=O)=O ZINC000587922597 JG Annotated Anodyne CN(c1ccc(-c2csc(-c3ccc(S(=O)(=O)N(C)C)cc3)n2)cc1)S(C)(=O)=O ZINC000587923721 JG Annotated Anodyne CN(c1ccc(-c2csc(-c3ccccc3S(=O)(=O)N(C)C)n2)cc1)S(C)(=O)=O ZINC000587923779 JG Annotated Anodyne COc1ccc(CCNC(=O)Cc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1OC ZINC000587924003 JG Annotated Anodyne COc1cccc(-c2cccc(-n3c(ON4C(=O)CCC4=O)ccc3ON3C(=O)CCC3=O)c2)c1 ZINC000587924913 JG Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2c(Br)cccc2-c2cnn(C)c2)c1OC ZINC000587934200 JG Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2c(Br)cccc2-c2cnn(C)c2)c1OC ZINC000587935131 JG Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)c(CC(=O)O)c(CC(=O)O)c1O ZINC000587935381 JG Annotated Anodyne N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)ccc1OCC[C@H](N)C(=O)O ZINC000587935876 JG Annotated Mild N#Cc1c(Cl)c(Br)cc(Br)c1-n1c2c(c3c1OC(=O)C3)CC(=O)O2 ZINC000587936465 JG Annotated Mild COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1OC ZINC000587936477 JG Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1OCC[C@H](N)C(=O)O ZINC000587937500 JG Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937736 JG Annotated Bother C=C(C)C(=O)OCCOc1ccc(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587937745 JG Annotated Mild COC(=O)c1cc(-n2c(O)cc([C@H](CC(=O)O)C(=O)OC)c2OC)c(Cl)cc1Br ZINC000587937868 JG Annotated Anodyne CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1nn(-c2ncccn2)cc1Br ZINC000587938854 JG Annotated Bother CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1nn(-c2ncccn2)cc1Br ZINC000587938857 JG Annotated Bother CCOC(=O)c1cc(OCC)n(-c2nn(-c3ncccn3)cc2Br)c1OCC ZINC000587939136 JG Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587939382 JG Annotated Bother COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cnc3cc(Br)ccc3c2)c1OC ZINC000587939749 JG Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2cnc(C)c(Br)n2)c1OCC ZINC000587940043 JG Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2cc(C(=O)O)ncc2Br)c1OCC ZINC000587940414 JG Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2cnc(C)c(Br)n2)c1OCC ZINC000587940747 JG Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2c[nH]cc(Br)c2=O)c1OCC ZINC000587941426 JG Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2cnc3cc(Br)ccc3c2)c1OC ZINC000587941890 JG Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1OC ZINC000587941938 JG Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(C[C@H](c2cccc(Br)c2)N(C)C)c1OC ZINC000587941939 JG Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1OC ZINC000587942148 JG Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(C[C@H](c2cccc(Br)c2)N(C)C)c1OC ZINC000587942150 JG Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2c[nH]cc(Br)c2=O)c1OCC ZINC000587942302 JG Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2cnc(C)c(Br)n2)c1OCC ZINC000587942381 JG Annotated Anodyne O=C1CCC(=O)N1Oc1ccc(ON2C(=O)CCC2=O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587943137 JG Annotated Anodyne O=C1CCC(=O)N1Oc1ccc(ON2C(=O)CCC2=O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943423 JG Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1OC ZINC000587943770 JG Annotated Bother COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587944023 JG Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1OC ZINC000587944024 JG Annotated Bother COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1OC ZINC000587944056 JG Annotated Bother O=C1CCC(=O)N1Oc1ccc(ON2C(=O)CCC2=O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587944350 JG Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587944364 JG Annotated Bother COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2nn(COc3ccccc3F)cc2Cl)c1OC ZINC000587945090 JG Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2n[nH]c(-c3ccccc3F)n2)c1OCC ZINC000587945156 JG Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1OC ZINC000587945364 JG Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O ZINC000587945543 JG Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O ZINC000587945548 JG Annotated Anodyne O=C1CCC(=O)N1Oc1ccc(ON2C(=O)CCC2=O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587945551 JG Annotated Anodyne O=C1CCC(=O)N1Oc1ccc(ON2C(=O)CCC2=O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587945559 JG Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2nc(N3CCCCC3)ncc2F)c1OCC ZINC000587945752 JG Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1OC ZINC000587946123 JG Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1OC ZINC000587946214 JG Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2nc(N3CCCCC3)ncc2F)c1OCC ZINC000587946271 JG Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587946503 JG Annotated Mild CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2n[nH]c(-c3ccccc3F)n2)c1OCC ZINC000587946766 JG Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(N)ncc3[nH]2)cc1 ZINC000587952791 JG Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cnncc3[nH]2)cc1 ZINC000587953175 JG Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccnc(N)c3[nH]2)cc1 ZINC000587953221 JG Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccnc(O)c3[nH]2)cc1 ZINC000587953700 JG Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ncc[nH]c-3n2)cc1 ZINC000587953781 JG Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cncnc3[nH]2)cc1 ZINC000587953969 JG Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(N)ccnc3[nH]2)cc1 ZINC000587953979 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CC(C)(C)CC(=O)O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587956402 JG Annotated Anodyne CC[C@@]1(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960837 JG Annotated Anodyne CC[C@]1(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960843 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[C@H]4CCC(=O)[C@H]4C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587961839 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[C@H]4CCC(=O)[C@@H]4C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587961842 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[C@@H]4CCC(=O)[C@H]4C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587961845 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[C@@H]4CCC(=O)[C@@H]4C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587961848 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CC[C@@H](C)CC(=O)O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587962628 JG Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[C@H](C)CCC(=O)O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587963116 JG Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4[nH]c(/C=C/C=C\C(=O)O)nc4c3)cc2)CC1 ZINC000587968722 JG Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4[nH]c(/C=C/C=C/C(=O)O)nc4c3)cc2)CC1 ZINC000587968723 JG Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(/C=C/C=C\C(=O)O)[nH]c12 ZINC000587969683 JG Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(/C=C/C=C/C(=O)O)[nH]c12 ZINC000587969687 JG Annotated Anodyne CN1CCN(CC(=O)N[C@@]2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 ZINC000059029129 JG Annotated Anodyne CN1CCN(CC(=O)N[C@]2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 ZINC000059029132 JG Annotated Anodyne CN(CCCC(=O)NC1COC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000059048345 JG Annotated Anodyne CCCc1cnc(N2CCC(Oc3ccn(-c4ccc(S(C)(=O)=O)cc4)c(=O)c3)CC2)nc1 ZINC000059067530 JG Annotated Anodyne CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1 ZINC000059127550 JG Annotated Anodyne CO[C@H]1CN(c2nc(-c3ncc[nH]3)c(C(=O)O)s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000059129428 JG Annotated Anodyne CO[C@H]1CN(c2nc(-c3ccn[nH]3)c(C(=O)O)s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000059129596 JG Annotated Anodyne COc1c(-c2ccc3c(c2)CC[C@@H]3CNS(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C ZINC000059185289 JG Annotated Anodyne COc1c(-c2ccc3c(c2)CC[C@H]3CNS(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C ZINC000059185354 JG Annotated Anodyne Nc1c(F)c(NCCNc2ccccn2)c2c3c1c(=O)c(C(=O)O)cn3C1(CCC1)CCO2 ZINC000059223658 JG Annotated Anodyne C[C@@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c(=O)c(C(=O)O)cn(c23)C12CCC2 ZINC000059223660 JG Annotated Anodyne C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c(=O)c(C(=O)O)cn(c23)C12CCC2 ZINC000059223661 JG Annotated Anodyne COc1ccc(Cn2c(=O)c3c(Cl)cc(Cl)cc3n(C3CCN(C=O)CC3)c2=O)cc1OC ZINC000059224819 JG Annotated Anodyne N#CC1(c2cc(C(F)(F)F)ccn2)CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)CC1 ZINC000059260957 JG Annotated Mild CC(=O)O[C@H]1[C@H]([C@H]2CC[C@H]3C(C)(C)CCC[C@@]32C)[C@H]2[C@@H]3[C@@H](OC(=O)[C@@]31OC(C)=O)O[C@@H]2OC(C)=O ZINC000059268558 JG Annotated Anodyne CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H](/C(C)=C/[C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)[C@@H](C)[C@@H]1O ZINC000059448001 JG Annotated Anodyne CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/N(C)C)C1)c1cccc(C)c1 ZINC000059545802 JG Annotated Anodyne CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/N(C)C)C1)c1cccc(C)c1 ZINC000059545804 JG Annotated Anodyne CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000059676624 JG Annotated Mild COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2N1Cc1ccccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000059722007 JG Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2CC[C@@H](O)C[C@@H]2N1Cc1ccccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000059722017 JG Annotated Anodyne CC[C@H]1O[C@H]2Oc3c(C)c(O)c(C)c4c3[C@H](C[C@H](c3ccc(OC)cc3)O4)O[C@@H]2[C@@H](O)[C@H]1O ZINC000059727691 JG Annotated Anodyne CC[C@@H]1O[C@H]2Oc3c(C)c(O)c(C)c4c3[C@H](C[C@H](c3ccc(OC)cc3)O4)O[C@@H]2[C@@H](O)[C@H]1O ZINC000059727693 JG Annotated Anodyne CC[C@H]1O[C@H]2Oc3c(C)c(O)c(C)c4c3[C@H](C[C@H](c3ccc(OC)cc3)O4)O[C@@H]2[C@@H](O)[C@@H]1O ZINC000059727696 JG Annotated Anodyne CC[C@@H]1O[C@H]2Oc3c(C)c(O)c(C)c4c3[C@H](C[C@H](c3ccc(OC)cc3)O4)O[C@@H]2[C@@H](O)[C@@H]1O ZINC000059727699 JG Annotated Anodyne C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@H]3O[C@@H]([C@H](C)O)[C@H](O)[C@H]3O)c21 ZINC000059796625 JG Annotated Bother CCCN1CCN(C(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3c2c2ccccc2n3C)CC1 ZINC000059919798 JG Annotated Anodyne CCCc1cc(C(C)=O)ccc1OC[C@H](O)COc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1 ZINC000059966663 JG Annotated Bother CCCc1cc(C(C)=O)ccc1OC[C@@H](O)COc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1 ZINC000059966667 JG Annotated Bother CCOC(=O)[C@@H]1ON2O[C@@H](O[C@@H]3CCCC3(c3ccccc3)c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@H]32 ZINC000006002005 JG Annotated Anodyne CCOC(=O)[C@@H]1ON2O[C@@H](O[C@@H]3CCCC3(c3ccccc3)c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@@H]32 ZINC000006002008 JG Annotated Anodyne CCOC(=O)[C@@H]1ON2O[C@H](O[C@@H]3CCCC3(c3ccccc3)c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@H]32 ZINC000006002016 JG Annotated Anodyne CCOC(=O)[C@@H]1ON2O[C@H](O[C@@H]3CCCC3(c3ccccc3)c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@@H]32 ZINC000006002019 JG Annotated Anodyne CC(=O)O[C@@H]1c2oc(cc2C)[C@H]2O[C@]2(C)C[C@H]2C=C(C(=O)O2)[C@H](OC(C)=O)C[C@@H]1[C@@]1(C)CO1 ZINC000006003713 JG Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@H](C(=O)c2ccccc2)N2N=C(c3ccc(Cl)cc3)C=C[C@H]12 ZINC000006003859 JG Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@H]2C=CC(c3ccc(Cl)cc3)=NN2[C@@H]1C(=O)c1ccccc1 ZINC000006003862 JG Annotated Anodyne CC1=NN(c2cccc(S(=O)(=O)O)c2)[C@@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009750 JG Annotated Reactive CC1=NN(c2cccc(S(=O)(=O)O)c2)[C@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009751 JG Annotated Reactive CC1=NN(c2cccc(S(=O)(=O)O)c2)[C@@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009752 JG Annotated Reactive CC1=NN(c2cccc(S(=O)(=O)O)c2)[C@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009753 JG Annotated Reactive CC1=NN(c2ccc(S(=O)(=O)O)cc2)[C@@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009754 JG Annotated Reactive CC1=NN(c2ccc(S(=O)(=O)O)cc2)[C@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009755 JG Annotated Reactive CC1=NN(c2ccc(S(=O)(=O)O)cc2)[C@@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009756 JG Annotated Reactive CC1=NN(c2ccc(S(=O)(=O)O)cc2)[C@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009757 JG Annotated Reactive O=S(=O)(/N=C(/NO)Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000006010142 JG Annotated Mild O=S(=O)(/N=C(/NO)Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)c2ccccc2)cs1 ZINC000006010143 JG Annotated Mild O=C1/C(=N\n2c(S)nnc2-c2ccncc2)c2cc(Cl)ccc2N1CN1CCCCC1 ZINC000006018571 JG Annotated Mild CCc1nn(CN2CCN(C)CC2)c(=S)n1/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006018852 JG Annotated Mild CCOC(=O)[C@H](Cc1ccc(OC(=O)c2ccc(OC)cc2OC)cc1)NC(=O)C(F)(F)F ZINC000006019918 JG Annotated Anodyne O[C@@H]1CO[C@@H]2O[C@](COCc3ccccc3)([C@H]1OCc1ccccc1)[C@H](OCc1ccccc1)[C@H]2O ZINC000006041323 JG Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@]2(O)C=CC(=O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@]132 ZINC000006041784 JG Annotated Mild CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@@]2(O)C=CC(=O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@]132 ZINC000006041785 JG Annotated Mild CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@]2(O)C=CC(=O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@]132 ZINC000006041786 JG Annotated Mild COc1ccc(C2=NNC(c3ccc(N4CCOCC4)cc3)=c3cc(Br)ccc3=N2)cc1 ZINC000006136577 JG Annotated Clean CSCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)c1nc2ccccc2[nH]1 ZINC000006144096 JG Annotated Anodyne O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000006146869 JG Annotated Reactive O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000006146933 JG Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(N3CCOCC3)cc1)n2C ZINC000006153575 JG Annotated Anodyne CN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3cccs3)c(=O)c2c1 ZINC000006181008 JG Annotated Anodyne Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccn4)c(=O)c3c2)c1 ZINC000006181306 JG Annotated Anodyne CC(C)[C@@H](C(=O)N[C@H]1CCCC[C@@H]1C(=O)O)N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000006199123 JG Annotated Anodyne Cc1ccc(-n2c(SCC(=O)NNC(=O)c3ccccc3O)nnc2-c2ccccc2O)cc1 ZINC000006280018 JG Annotated Reactive COc1ccccc1CNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2c1=O ZINC000006296493 JG Annotated Anodyne O=C(NCCc1ccccc1)c1c[nH]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2c1=O ZINC000006296497 JG Annotated Anodyne CC1CCN(C(=O)c2c[nH]c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3c2=O)CC1 ZINC000006296499 JG Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2c[nH]c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3c2=O)C1 ZINC000006296551 JG Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N/C(=O)/C=C/c1ccccc1 ZINC000061695619 JG Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N/C(=O)/C=C/c1ccccc1 ZINC000061695620 JG Annotated Bother COC(=O)[C@]1(CC(C)C)N[C@H](c2ccc(-c3ccc(C(C)=O)cc3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061704717 JG Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2cc(C(=O)Nc3cccc4c3CCCC4)no2)c1 ZINC000061895344 JG Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2cc(C(=O)Nc3cccc4c3CCCC4)no2)c1 ZINC000061895346 JG Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061895868 JG Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061895869 JG Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc3c(c2)CCO3)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061896341 JG Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc3c(c2)CCO3)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061896343 JG Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)C/C=C/c1ccccc1 ZINC000061897453 JG Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)C/C=C/c1ccccc1 ZINC000061897456 JG Annotated Anodyne CCc1nc2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn2c1N(CC)CCOC ZINC000061898595 JG Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(Br)cc2)CCN1C(=O)CCC1CCCC1 ZINC000061902862 JG Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(Br)cc2)CCN1C(=O)CCC1CCCC1 ZINC000061902863 JG Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)Cc2ccccc2C(F)(F)F)CCN1C(=O)c1cccc(F)c1 ZINC000061903039 JG Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)Cc2ccccc2C(F)(F)F)CCN1C(=O)c1cccc(F)c1 ZINC000061903040 JG Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000061903275 JG Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000061903276 JG Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(Br)cc2)CCN1C(=O)CC1CCCCC1 ZINC000061903317 JG Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(Br)cc2)CCN1C(=O)CC1CCCCC1 ZINC000061903318 JG Annotated Anodyne CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(CCN(C)C)CC1CC1 ZINC000061903348 JG Annotated Anodyne CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2cccc(NS(C)(=O)=O)c2)O3)c1 ZINC000061903349 JG Annotated Anodyne CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2cccc(NS(C)(=O)=O)c2)O3)c1 ZINC000061903350 JG Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061904981 JG Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061904982 JG Annotated Anodyne Cc1nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cn2c1N(C)C(=O)CCc1ccccc1 ZINC000061905391 JG Annotated Anodyne Cc1noc(C)c1S(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000061905473 JG Annotated Anodyne Cc1noc(C)c1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000061905474 JG Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061906496 JG Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061906497 JG Annotated Mild C[C@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061906530 JG Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061906531 JG Annotated Mild C[C@]1(C(=O)NS(=O)(=O)c2ccc(Br)cc2)CCN1C(=O)C/C=C/c1ccccc1 ZINC000061906572 JG Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(Br)cc2)CCN1C(=O)C/C=C/c1ccccc1 ZINC000061906573 JG Annotated Anodyne COc1ccc(-c2cnc3c(NC(C)=O)cc(-c4cccc(C(=O)NCCO)c4)cn23)cc1OC ZINC000061906652 JG Annotated Anodyne OC[C@H]1O[C@@H](c2nc3ccc(-c4nc(-c5ccc(Br)cc5)no4)cc3[nH]2)C[C@@H]1O ZINC000061906979 JG Annotated Anodyne CCc1nc2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn2c1N(CC)CCN(C)C ZINC000061907083 JG Annotated Anodyne Cc1noc(C)c1S(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061907393 JG Annotated Anodyne Cc1noc(C)c1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061907394 JG Annotated Anodyne CCc1nc2ccc(C(=O)N(C)CCN(C)C)cn2c1N(CC)C(=O)NCCc1ccccc1 ZINC000061907396 JG Annotated Anodyne CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(CC)CCN(C)C ZINC000061907432 JG Annotated Anodyne CCc1nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cn2c1N(C)Cc1nccs1 ZINC000061907439 JG Annotated Anodyne CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(C)Cc1nccn1C ZINC000061908313 JG Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061908549 JG Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061908550 JG Annotated Mild CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCCc2ccccn2)C(=O)N1CCC1=CCCCC1 ZINC000061920947 JG Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCCc2ccccn2)C(=O)N1CCC1=CCCCC1 ZINC000061920948 JG Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)CC(C(=O)N(C)C)=C1C ZINC000061920977 JG Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCc2cccc3ccccc23)CC(C(=O)N(C)C)=C1C ZINC000061920978 JG Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061920993 JG Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061920994 JG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C(F)(F)F)cc1)N[C@]21CCCN(Cc2ccco2)C1=O ZINC000061921188 JG Annotated Anodyne CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C(F)(F)F)cc1)N[C@]21CCCN(Cc2ccc(F)cc2)C1=O ZINC000061921198 JG Annotated Anodyne Cc1ccc(CN2CCC[C@]3(N[C@H](c4ccc(C(F)(F)F)cc4)[C@@H]4C(=O)N(C)C(=O)[C@@H]43)C2=O)cc1 ZINC000061921200 JG Annotated Anodyne COc1ccc([C@H]2N[C@]3(CCCN(Cc4ccco4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000061921201 JG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)N[C@]21CCCN(Cc2ccc(Cl)cc2)C1=O ZINC000061921209 JG Annotated Anodyne Cc1ccc([C@H]2N[C@]3(CCCN(Cc4cccn4C)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000061921221 JG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N[C@]21CCCN(Cc2ccc(Cl)cc2)C1=O ZINC000061921232 JG Annotated Anodyne Cc1ccc([C@H]2N[C@]3(CCCN(Cc4ccc(C(F)(F)F)cc4)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061921238 JG Annotated Anodyne Cc1ccc([C@H]2N[C@]3(CCCN(Cc4ccc(Cl)cc4)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061921242 JG Annotated Anodyne Cc1ccc([C@H]2N[C@]3(CCCN(Cc4ccc(Br)cc4)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061921243 JG Annotated Anodyne Cn1cccc1CN1CCC[C@]2(N[C@H](c3ccccc3)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000061921248 JG Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H](c1ccccc1)N[C@]21CCCN(Cc2ccco2)C1=O ZINC000061921251 JG Annotated Anodyne O=C1N[C@@H](Cc2ccc(O)cc2)c2nc3ccc(Br)cc3c(=O)n2-c2ncccc21 ZINC000061921427 JG Annotated Anodyne O=C1N[C@H](Cc2ccc(O)cc2)c2nc3ccc(Br)cc3c(=O)n2-c2ncccc21 ZINC000061921428 JG Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@H](CC(=O)NCCc2ccccn2)C1 ZINC000061921521 JG Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@H](CC(=O)NCCc2ccccn2)C1 ZINC000061921522 JG Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000061921709 JG Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000061921710 JG Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccc(F)cc1 ZINC000061921722 JG Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccc(F)cc1 ZINC000061921725 JG Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000061921732 JG Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000061921733 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000061921741 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000061921744 JG Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCc2ccco2)C(=O)N1CCC1=CCCCC1 ZINC000061921885 JG Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCc2ccco2)C(=O)N1CCC1=CCCCC1 ZINC000061921887 JG Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061921949 JG Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061921951 JG Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NCC3CCCCC3)CC(C(=O)N3CCOCC3)=C2C)cc1 ZINC000061921952 JG Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NCC3CCCCC3)CC(C(=O)N3CCOCC3)=C2C)cc1 ZINC000061921953 JG Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CCCCC3)CC(C(=O)N3CCOCC3)=C2C)cc1 ZINC000061921968 JG Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NC3CCCCC3)CC(C(=O)N3CCOCC3)=C2C)cc1 ZINC000061921969 JG Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921994 JG Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCCCCc2ccccc2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921996 JG Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccccc1 ZINC000061922003 JG Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccccc1 ZINC000061922004 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000061922046 JG Annotated Anodyne CC(C)C[C@H](NC(=O)c1ncn2c1c(=O)[nH]c1ccc(Br)cc12)C(=O)OC(C)(C)C ZINC000061922156 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)NC1CCCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000061922322 JG Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000061922553 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)C(=O)C1CCC1 ZINC000061922558 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccc(F)cc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000061922559 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000061922566 JG Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(C#Cc3ccc(F)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000061922758 JG Annotated Mild COc1ccc(CNC(=O)C[C@@H]2C[C@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@H]3[C@@H](CO)O2)cc1 ZINC000061922791 JG Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000061922792 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000061922803 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000061922808 JG Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCc4ccccc4C3)O[C@@H](CO)[C@H]1O2 ZINC000061922828 JG Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCN2CCCC2=O)C(=O)[C@H](CC(=O)NCC2CCCCC2)C1 ZINC000061922885 JG Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCN2CCCC2=O)C(=O)[C@@H](CC(=O)NCC2CCCCC2)C1 ZINC000061922888 JG Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NCC3CCCCC3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061923352 JG Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NCC3CCCCC3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061923355 JG Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3cccs3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061923376 JG Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NCc3cccs3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061923377 JG Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@H](CC(=O)NCCCN(C)C)C1 ZINC000061923428 JG Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@@H](CC(=O)NCCCN(C)C)C1 ZINC000061923429 JG Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@H](CC(=O)NCCc2ccccn2)C1 ZINC000061923503 JG Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@@H](CC(=O)NCCc2ccccn2)C1 ZINC000061923506 JG Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@H](CC(=O)NCCc2ccccn2)C1 ZINC000061923557 JG Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@@H](CC(=O)NCCc2ccccn2)C1 ZINC000061923558 JG Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@H](CC(=O)NCc2ccco2)C1 ZINC000061923559 JG Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@@H](CC(=O)NCc2ccco2)C1 ZINC000061923560 JG Annotated Anodyne CCC/C=C/c1ccc(CN2[C@H](C)C(=O)N(Cc3cn(Cc4ccco4)nn3)CCS2(=O)=O)cc1 ZINC000061923752 JG Annotated Anodyne CCC/C=C/c1ccc(CN2[C@@H](C)C(=O)N(Cc3cn(Cc4ccco4)nn3)CCS2(=O)=O)cc1 ZINC000061923755 JG Annotated Anodyne COCCNC(=S)N(C)[C@H]1C[C@H]2c3cc(Oc4ccccc4C)ccc3CCN2C(=O)[C@H]1[C@H](C)O ZINC000061923997 JG Annotated Anodyne COCCNC(=S)N(C)[C@H]1C[C@H]2c3cc(-c4ccccc4)ccc3CCN2C(=O)[C@H]1[C@H](C)O ZINC000061924000 JG Annotated Anodyne COC(=O)CCN(Cc1cccc(OC)c1OC)S(=O)(=O)c1ccccc1Br ZINC000061924400 JG Annotated Anodyne CN1CCN(C(=O)c2ccc(-c3cc4nc(NCc5cccnc5)n(C)c(=O)c4s3)cc2)CC1 ZINC000061925579 JG Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2cc(C(=O)Nc3ccc(F)c(Cl)c3)no2)c1 ZINC000061925749 JG Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2cc(C(=O)Nc3ccc(F)c(Cl)c3)no2)c1 ZINC000061925750 JG Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2cccc(NS(C)(=O)=O)c2)O3)c1 ZINC000061925960 JG Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2cccc(NS(C)(=O)=O)c2)O3)c1 ZINC000061925961 JG Annotated Anodyne CC(C)(C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000061926740 JG Annotated Anodyne CC(C)(C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000061926741 JG Annotated Anodyne CN1CCN(C(=O)c2cnc(Cc3c[nH]c4ccccc34)c(I)c2)CC1 ZINC000061926776 JG Annotated Anodyne C[C@]1(/C(O)=N/c2cccc(NS(C)(=O)=O)c2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 ZINC000061927858 JG Annotated Mild C[C@@]1(/C(O)=N/c2cccc(NS(C)(=O)=O)c2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 ZINC000061927860 JG Annotated Mild CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccc(N4CCN(C)CC4)cc2)O3)c1 ZINC000061929261 JG Annotated Clean CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccc(N4CCN(C)CC4)cc2)O3)c1 ZINC000061929264 JG Annotated Clean CCc1nc2ccc(C(=O)NCCCN3CCCC3=O)cn2c1N(CCC(C)C)CCN(C)C ZINC000061930387 JG Annotated Anodyne CCCCC(=O)N(C)c1c(C)nc2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)cn12 ZINC000061930981 JG Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@@H]2N2C(=O)CN(C[C@@H]3CCCO3)C(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000061931358 JG Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@@H]2N2C(=O)CN(C[C@H]3CCCO3)C(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000061931360 JG Annotated Anodyne COCC(=O)N(C)[C@H]1C[C@H]2c3cc(Oc4ccccc4C)ccc3CCN2C(=O)[C@H]1[C@H](C)O ZINC000061942417 JG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SCc3ccc(C)cc3)N1[C@@]2(Cc1ccccc1)C(=O)OC ZINC000061944575 JG Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SCc3ccc(Cl)cc3)N21 ZINC000061944588 JG Annotated Anodyne CC[C@]1(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CN=C(SCc3ccc(C)cc3)N21 ZINC000061944607 JG Annotated Anodyne CC[C@]1(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CN=C(SCc3ccccc3)N21 ZINC000061944609 JG Annotated Anodyne COC(=O)[C@@]1(C)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CN=C(SCc3ccc(Cl)cc3)N21 ZINC000061944642 JG Annotated Anodyne COC(=O)[C@@]1(C)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CN=C(SCc3ccc(C)cc3)N21 ZINC000061944645 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC=CCN(S(=O)(=O)c3ccccc3Br)CC2)cc1 ZINC000061944756 JG Annotated Anodyne CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCN3CCCC[C@H]3CC)cc21 ZINC000061944895 JG Annotated Anodyne CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCN3CCCC[C@@H]3CC)cc21 ZINC000061944898 JG Annotated Anodyne Cc1cc(C)c(CN2CCN(C(=O)Cn3cnc(C(=O)Nc4ccc(C)c(C)c4)n3)CC2)c(C)c1 ZINC000061945190 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000061945571 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000061945725 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000061945957 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCc2cnnn2CCCC1=O ZINC000061946219 JG Annotated Anodyne COc1cc2sc(-c3ccc(S(C)(=O)=O)cc3)c(C(=O)NCCCCO)c2cc1OC ZINC000061948005 JG Annotated Anodyne O=C1CCCC/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N2CCC[C@@H]2CO1 ZINC000061948428 JG Annotated Anodyne O=C1CC/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CO1 ZINC000061948593 JG Annotated Anodyne C=CC[C@@H](Cc1ccc(F)cc1)C(=O)OC[C@@H](NC(=O)[C@H](CC=C)CC(=O)NCCO)C(C)(C)C ZINC000061948627 JG Annotated Mild CC(C)(C)OC(=O)NCCCCCNC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1 ZINC000061948672 JG Annotated Anodyne CC1CCN(c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NC[C@@H]4CCCO4)c2C3=O)CC1 ZINC000061948755 JG Annotated Anodyne CC[C@]12C(=O)N(C)C[C@H]([C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]31)N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061949139 JG Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061949168 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)CN(Cc3ccc(Cl)cc3)C(=O)[C@@]12C ZINC000061949417 JG Annotated Anodyne C=C[C@H](COCc1ccccc1)N(CC(=O)OC)S(=O)(=O)c1cc(Br)ccc1OC ZINC000061949624 JG Annotated Mild C=C[C@@H](COCc1ccccc1)N(CC(=O)OC)S(=O)(=O)c1cc(Br)ccc1OC ZINC000061949626 JG Annotated Mild CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1ccc(OC)cc1 ZINC000061956392 JG Annotated Bother CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N[C@@H]1c1ccc(Br)cc1F ZINC000061958859 JG Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N[C@H]1c1ccc(Br)cc1F ZINC000061958861 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)c3c(C)cc(C)cc3NC(=O)[C@@]12C ZINC000061959458 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@H]2N2C(=O)N(c3cccc(F)c3)C(=O)[C@@]12C ZINC000061959500 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@H]2N2C(=O)N(c3cccc(F)c3)C(=O)[C@]12C ZINC000061959541 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@H]2N2C(=O)N(c3cccc(C)c3)C(=O)[C@]12C ZINC000061959550 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@H]2N2C(=O)N(c3ccc(OC)cc3)C(=O)[C@]12C ZINC000061959551 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3cccc(C)c3)C(=O)[C@]12C ZINC000061959558 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@H]2N2C(=O)N(c3ccc(C)cc3)C(=O)[C@]12C ZINC000061959562 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3cccc(F)c3)C(=O)[C@@]12C ZINC000061959675 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccc(F)cc3)C(=O)[C@@]12C ZINC000061959759 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@]12C ZINC000061959786 JG Annotated Anodyne CCCSc1ccc([C@H]2N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061959788 JG Annotated Anodyne Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4cccs4)n(CCCOC(C)C)c3nc12 ZINC000061966177 JG Annotated Anodyne CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1c(OCC(=O)N2CCOCC2)ccc2ccccc12 ZINC000617981666 JG Annotated Anodyne CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1c(OCC(=O)N2CCOCC2)ccc2ccccc12 ZINC000617981670 JG Annotated Anodyne C/C=C/C=C/C(=O)C1=C(O)[C@@]2(C)[C@H]3/C(=C(O)\C=C\C=C\C)C(=O)[C@@]4(C)[C@H]1[C@@]1(C)O[C@]4(O)[C@]3(C)O[C@]12O ZINC000618005615 JG Annotated Mild CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccc3ccccc3c2O)CC1 ZINC000618007565 JG Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccsc2Br)C1 ZINC000618007572 JG Annotated Reactive CC(C)c1cccc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c1O ZINC000618007618 JG Annotated Reactive NCCSSCCNC(=O)C1CCN(C(=O)c2cc(F)c(F)c(Cl)c2F)CC1 ZINC000618007643 JG Annotated Reactive COc1c(C)cc(C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc2ccncc2)cc1C ZINC000618007688 JG Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3cc2O)C1 ZINC000618007695 JG Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2O)C1 ZINC000618007696 JG Annotated Reactive Cc1nc(-c2cccnc2)sc1C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1 ZINC000618007708 JG Annotated Reactive Cc1ccc2oc(C(=O)N3CCC[C@H](C(=O)NCCSSCCN(C)C)C3)cc(=O)c2c1 ZINC000618007776 JG Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc3cccc(O)c3cc2O)C1 ZINC000618007853 JG Annotated Reactive Cc1ccc2oc(C(=O)N3CCC(C(=O)NCCSSCCN(C)C)CC3)cc(=O)c2c1 ZINC000618007862 JG Annotated Reactive COc1cc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)nc2ccccc12 ZINC000618007873 JG Annotated Reactive Cc1nc(-c2cccnc2)sc1C(=O)N1CCC[C@@H](C(=O)NCCSSCCN(C)C)C1 ZINC000618007888 JG Annotated Reactive COc1ccc(Cl)cc1C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1 ZINC000618007914 JG Annotated Reactive NCCSSCCNC(=O)C1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000618007960 JG Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2cc3cccc(O)c3cc2O)C1 ZINC000618008102 JG Annotated Reactive COc1cccc2cc(C(=O)N3CCC[C@H](C(=O)NCCSSCCN(C)C)C3)oc12 ZINC000618008137 JG Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2N)C1 ZINC000618008251 JG Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)nc2Cl)C1 ZINC000618008276 JG Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)nc2Cl)C1 ZINC000618008278 JG Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccccc2Br)CC1 ZINC000618008293 JG Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000618008299 JG Annotated Reactive COc1cccc2cc(C(=O)N3CCC[C@@H](C(=O)NCCSSCCN(C)C)C3)oc12 ZINC000618008389 JG Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cc(Cl)cc(Cl)c2N)CC1 ZINC000618008437 JG Annotated Reactive Cc1cc(C)c2ccc(C(=O)N3CCC(C(=O)NCCSSCCN(C)C)CC3)nc2c1O ZINC000618008468 JG Annotated Reactive C[C@@H](c1ccccc1)n1cncc1C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 ZINC000618008610 JG Annotated Reactive C[C@H](c1ccccc1)n1cncc1C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 ZINC000618008612 JG Annotated Reactive Cc1cc(C)c2ccc(C(=O)N3CCC[C@H](C(=O)NCCSSCCN(C)C)C3)nc2c1O ZINC000618008637 JG Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)s2)C1 ZINC000618008663 JG Annotated Reactive COc1cc2cc(C(=O)N3CCC[C@H](C(=O)NCCSSCCN(C)C)C3)[nH]c2cc1OC ZINC000618008666 JG Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cc(OC(F)(F)F)ccc2N)CC1 ZINC000618008680 JG Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cc(N)cc(C(F)(F)F)c2)CC1 ZINC000618008836 JG Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000618009002 JG Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000618009035 JG Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000618009296 JG Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(OC(F)(F)F)ccc2N)C1 ZINC000618009354 JG Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000618009359 JG Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccc(Br)s2)CC1 ZINC000618009361 JG Annotated Reactive COc1ccc(-c2cc(C(=O)N3CCC(C(=O)NCCSSCCN(C)C)CC3)no2)cc1 ZINC000618009452 JG Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C1 ZINC000618009479 JG Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000618009488 JG Annotated Reactive Cc1c(Cl)cccc1S(=O)(=O)NCc1cn(CCCSSCCN(C)C)nn1 ZINC000618009546 JG Annotated Reactive CC(C)N1CCN(CCNC2CCN(c3cccc([C@H]4NC(=O)c5ccccc5N4)c3)CC2)CC1 ZINC000618009576 JG Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc([C@@H]4NC(=O)c5ccccc5N4)c3)CC2)CC1 ZINC000618009580 JG Annotated Anodyne O=S1(=O)CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618009658 JG Annotated Anodyne CN1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1 ZINC000618011799 JG Annotated Mild CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000618012384 JG Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(O)c(Br)c2)C1 ZINC000618012400 JG Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000618012649 JG Annotated Reactive CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@@H](CSc1nn(-c3ccccc3)c(=S)s1)N2CCC ZINC000618013101 JG Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@@H](CSc1nn(-c3ccccc3)c(=S)s1)N2CCC ZINC000618013105 JG Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@H](CSc1nn(-c3ccccc3)c(=S)s1)N2CCC ZINC000618013106 JG Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@H](CSc1nn(-c3ccccc3)c(=S)s1)N2CCC ZINC000618013107 JG Annotated Anodyne CC[C@H](C)C[C@@H]1[C@H](C)S[C@@H]2N[C@H](CN(C)CC(=O)Nc3ccccc3Br)NC(=O)[C@@H]21 ZINC000618013585 JG Annotated Anodyne CC[C@H](C)C[C@@H]1[C@H](C)S[C@@H]2N[C@H](CN(C)CC(=O)Nc3ccccc3Br)NC(=O)[C@H]21 ZINC000618013586 JG Annotated Anodyne CC[C@H](C)C[C@@H]1[C@H](C)S[C@@H]2N[C@@H](CN(C)CC(=O)Nc3ccccc3Br)NC(=O)[C@H]21 ZINC000618013587 JG Annotated Anodyne CC[C@H](C)C[C@@H]1[C@H](C)S[C@@H]2N[C@@H](CN(C)CC(=O)Nc3ccccc3Br)NC(=O)[C@@H]21 ZINC000618013588 JG Annotated Anodyne O=C1N[C@@H]2CC[C@H](Br)C[C@@H]2[C@@H](c2ccccc2)[C@H]1CNS(=O)(=O)c1ccccc1 ZINC000618014670 JG Annotated Reactive O=C1N[C@@H]2CC[C@H](Br)C[C@@H]2[C@H](c2ccccc2)[C@@H]1CNS(=O)(=O)c1ccccc1 ZINC000618014673 JG Annotated Reactive O=C1N[C@@H]2CC[C@H](Br)C[C@@H]2[C@@H](c2ccccc2)[C@@H]1CNS(=O)(=O)c1ccccc1 ZINC000618014674 JG Annotated Reactive O=C1N[C@@H]2CC[C@H](Br)C[C@@H]2[C@H](c2ccccc2)[C@H]1CNS(=O)(=O)c1ccccc1 ZINC000618014675 JG Annotated Reactive CCN(CCCNC(=O)CC[C@@H]1NC(=O)[C@H]2[C@@H]3CCCCC[C@@H]3S[C@H]2N1)c1ccccc1 ZINC000618016386 JG Annotated Anodyne CCN(CCCNC(=O)CC[C@@H]1NC(=O)[C@@H]2[C@H](N1)S[C@H]1CCCCC[C@@H]12)c1ccccc1 ZINC000618016387 JG Annotated Anodyne CCN(CCCNC(=O)CC[C@@H]1NC(=O)[C@@H]2[C@H](N1)S[C@@H]1CCCCC[C@@H]12)c1ccccc1 ZINC000618016388 JG Annotated Anodyne CCN(CCCNC(=O)CC[C@@H]1NC(=O)[C@H]2[C@@H]3CCCCC[C@H]3S[C@H]2N1)c1ccccc1 ZINC000618016389 JG Annotated Anodyne CC(C)CN1C(=O)C(=O)N[C@@H]2C[C@H](c3noc(-c4cccc(NC(=O)c5ccco5)c4)n3)CC[C@H]21 ZINC000618016497 JG Annotated Anodyne CC(C)CN1C(=O)C(=O)N[C@@H]2C[C@@H](c3noc(-c4cccc(NC(=O)c5ccco5)c4)n3)CC[C@@H]21 ZINC000618016503 JG Annotated Anodyne CC(C)CN1C(=O)C(=O)N[C@@H]2C[C@@H](c3noc(-c4cccc(NC(=O)c5ccco5)c4)n3)CC[C@H]21 ZINC000618016505 JG Annotated Anodyne CC(C)CN1C(=O)C(=O)N[C@@H]2C[C@H](c3noc(-c4cccc(NC(=O)c5ccco5)c4)n3)CC[C@@H]21 ZINC000618016507 JG Annotated Anodyne O=C1NC/C=C/CC2(CCN(C(=O)/C=C/c3ccccc3)CC2)C(=O)NCCOc2ccccc21 ZINC000618016695 JG Annotated Anodyne CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000618016699 JG Annotated Reactive COc1ccc(C2(C(=O)N3CCO[C@@H](C(=O)Nc4ccc5nccnc5c4)C3)CCCC2)cc1 ZINC000618016775 JG Annotated Anodyne COc1ccc(C2(C(=O)N3CCO[C@H](C(=O)Nc4ccc5nccnc5c4)C3)CCCC2)cc1 ZINC000618016776 JG Annotated Anodyne Cc1ccc2nccc(N3CCC[C@@](O)(CN(C)C(=O)CC4(CC(=O)O)CCCC4)C3)c2n1 ZINC000618016852 JG Annotated Anodyne Cc1ccc2nccc(N3CCC[C@](O)(CN(C)C(=O)CC4(CC(=O)O)CCCC4)C3)c2n1 ZINC000618016856 JG Annotated Anodyne O=C(Cn1cc(C(=O)N2CC[C@@H](C(=O)O)[C@H]2c2ccccc2Cl)ccc1=O)NCc1ccccc1 ZINC000618016865 JG Annotated Anodyne CC1(C)Oc2cc(O)ccc2[C@@H]2O[C@@H]3CCCN(CC(=O)N4CC(=O)Nc5ccccc54)[C@@H]3C[C@H]21 ZINC000618016881 JG Annotated Anodyne CC1(C)Oc2c(O)cccc2[C@H]2OC[C@@]3(C[C@@H]21)CN(CC(=O)Nc1ccccc1C(=O)O)CCO3 ZINC000618017046 JG Annotated Anodyne CN(C)CCSSCCNC(=O)[C@@H]1[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)c(O)c(Cl)c1 ZINC000618017081 JG Annotated Reactive O=C(CCc1ccccc1F)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 ZINC000618017123 JG Annotated Anodyne O=C(CCc1ccccc1F)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 ZINC000618017128 JG Annotated Anodyne CN(C)CCSSCCNC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000618017304 JG Annotated Reactive CN(C)CCSSCCNC(=O)CCNC(=O)c1cc(-c2ccccc2F)ccc1O ZINC000618017792 JG Annotated Reactive COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)CSSCCN(C)C)CC2 ZINC000618017844 JG Annotated Reactive Cc1cc(OCC(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)ccc1Cl ZINC000618018323 JG Annotated Reactive Cc1ccc(-c2cc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)CSSCCN(C)C)n[nH]2)cc1 ZINC000618018353 JG Annotated Reactive CN(C)CCSSCCNC(=O)CCNC(=O)c1cc(-c2cccc(F)c2)ccc1O ZINC000618018385 JG Annotated Reactive C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 ZINC000618018386 JG Annotated Reactive C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 ZINC000618018389 JG Annotated Reactive C=CS(=O)(=O)N(CCCC(=O)O)C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000618020216 JG Annotated Anodyne CCCC(=O)c1c(O)c(C[C@@H]2C(=O)[C@H](C(=O)CCC)C(=O)C(C)(C)C2=O)c(O)c(C)c1OC ZINC000062083752 JG Annotated Anodyne CC(C)Oc1ccc([C@H](CC(=O)O)NC(=O)CCC(=O)Nc2ccc3c(c2)CNCC3)cc1 ZINC000062224166 JG Annotated Anodyne COc1ccc(-c2cc(-c3c(OC)cc(OC)c([C@H]4CCN(C)[C@H]4CO)c3O)n[nH]2)c(OC)c1 ZINC000062224558 JG Annotated Anodyne c1ccc(Cn2nnnc2[C@H](c2ccc(Cn3cncn3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225055 JG Annotated Anodyne O=C1CCCN1c1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225111 JG Annotated Anodyne O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccc(F)cc3F)nc2-c2cccnc2)SC1=S ZINC000062233365 JG Annotated Clean Nc1ccc2c(Nc3ccc(C4=NCCN4)cc3)nnc(Nc3ccc(C4=NCCN4)cc3)c2c1 ZINC000062242143 JG Annotated Anodyne Cc1csc(Cn2c(=O)c3c(nc4n(-c5ccccc5OC(F)(F)F)c(C)cn34)n(C)c2=O)n1 ZINC000621431888 JG Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCCO2)[C@H]1c1cn(C)c2ccccc12 ZINC000621441604 JG Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1cn(C)c2ccccc12 ZINC000621441605 JG Annotated Anodyne CS(=O)(=O)NC(=O)c1cccc(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)c1 ZINC000621476435 JG Annotated Anodyne O=C(OCc1ccc([N+](=O)[O-])cc1)OC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC000621478299 JG Annotated Bother CN(C)CCSSCCNC(=O)CCNC(=O)c1cc(-c2ccc(F)cc2)ccc1O ZINC000621485862 JG Annotated Reactive CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C/C(=O)OCC/C(C)=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1 ZINC000064237763 JG Annotated Anodyne CN(C)c1ccc2c(c1)C(=O)N(C[C@H](NC(=O)OCC1c3ccccc3-c3ccccc31)C(=O)O)C2=O ZINC000064245719 JG Annotated Anodyne CCn1cc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)c(=O)c2ccc(C)nc21 ZINC000064286937 JG Annotated Reactive C[C@H]1C[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)[C@H](O)C[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000064373188 JG Annotated Anodyne C[C@@H](O)c1cc(N2CCOCC2)cn2c(=O)c(O)c(-c3ncc(Cc4ccc(F)cc4)s3)nc12 ZINC000064373514 JG Annotated Anodyne COc1cc([C@H](O)[C@H]2CNC(=N)N([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000064380879 JG Annotated Anodyne C[C@]1(c2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/O)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000064394194 JG Annotated Mild C[C@@]1(c2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/O)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000064394196 JG Annotated Mild CCCN1C(=O)/C(=N\NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)c2cc(Br)ccc21 ZINC000064415795 JG Annotated Reactive C=CCN1C(=O)/C(=N\NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)c2cc(Br)ccc21 ZINC000064415823 JG Annotated Reactive O=[N+]([O-])c1ccc(CN2CCN(C3=NS(=O)(=O)c4ccccc4N3c3ccccc3)CC2)o1 ZINC000064436469 JG Annotated Bother Cc1c2c(=O)n(-c3nc4ccccc4s3)n(Cc3ccccn3)c2cc(=O)n1C[C@@H]1CCOC1 ZINC000064447155 JG Annotated Anodyne Cc1c2c(=O)n(-c3nc4ccccc4s3)n(Cc3ccccn3)c2cc(=O)n1C[C@H]1CCOC1 ZINC000064447156 JG Annotated Anodyne COc1ccc([C@H]2Oc3c(OC)c(Br)c4ccc(=O)oc4c3O[C@@H]2CO)cc1OC ZINC000064453439 JG Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000064479707 JG Annotated Mild Cc1ccc2c(c1)/C(=C1/Nc3ccc(Br)cc3/C1=N\OCCN1CCNCC1)C(=O)N2 ZINC000064481161 JG Annotated Mild NC(=O)C12CC3C[C@@H](C1)C(OC(=O)N1CC[C@@H](Nc4ncccc4C(F)(F)F)C1)[C@H](C3)C2 ZINC000064512230 JG Annotated Anodyne N#Cc1c(-c2ccccc2)cn(-c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1N1C(=O)CCC1=O ZINC000064512824 JG Annotated Mild COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCC[C@H]3C)cnc21 ZINC000064513721 JG Annotated Mild COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCC[C@@H]3C)cnc21 ZINC000064513724 JG Annotated Mild O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@@H]1c1ccccc1Br ZINC000064516344 JG Annotated Bother O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@H]1c1ccccc1Br ZINC000064516346 JG Annotated Bother O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@@H]1c1cccc(Br)c1 ZINC000064516348 JG Annotated Bother O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@H]1c1cccc(Br)c1 ZINC000064516351 JG Annotated Bother Cc1nc2c(c(-c3ccccc3)cn2-c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(=O)[nH]1 ZINC000064527286 JG Annotated Anodyne NC(=O)C12CC3C[C@@H](C1)C(OC(=O)N1CC[C@H](Nc4ccc(C(F)(F)F)cn4)C1)[C@H](C3)C2 ZINC000064527337 JG Annotated Anodyne N#Cc1c(-c2ccccc2)cn(-c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1NC(N)=O ZINC000064527886 JG Annotated Mild CCNC(=O)c1ccc2c(c1)CCN2C(=S)NN/C(C)=C1\C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000064528137 JG Annotated Clean NC(=O)C12CC3C[C@@H](C1)C(OC(=O)N1CC[C@@H](Nc4ccc(C(F)(F)F)cn4)C1)[C@H](C3)C2 ZINC000064528521 JG Annotated Anodyne O=S(=O)(Cc1nnc(CS(=O)(=O)c2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1 ZINC000064532163 JG Annotated Anodyne COc1ccc(/C=C2\CN(P(=O)(O)O)C/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000064539051 JG Annotated Mild CNC(=O)c1ccc2c(c1)CCN2C(=S)NN/C(C)=C1\C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000064539237 JG Annotated Clean CC(C)(C(=O)N[C@@H]1CCN[P@](=O)(N(CCCl)CCCl)O1)c1ccccc1[N+](=O)[O-] ZINC000064539498 JG Annotated Reactive CC1=NN(c2ccc3c(c2)CCC3)C(=O)/C1=C(\C)NNC(=O)N1CCc2cc(C(=O)O)ccc21 ZINC000064540149 JG Annotated Reactive in-vivo CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C(/C)NNC(=S)N1CCc2cc(C(=O)O)ccc21 ZINC000064540877 JG Annotated Clean O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1sc2c(c1C(=O)N[C@H]1CCNC1)CCCC2 ZINC000064548336 JG Annotated Anodyne CCCCCC(=O)OCOC(=O)c1cn2c3c(c(N4CCN(C)CC4)c(F)cc3c1=O)OC[C@@H]2C ZINC000064548873 JG Annotated Anodyne Cn1cncc1CN(CCN(CC1CCCCC1)S(=O)(=O)c1ccccn1)c1ccc(C#N)cn1 ZINC000064549092 JG Annotated Mild CC(C)(CNC(=O)C1(O)CCCC1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064549710 JG Annotated Anodyne CC(C)(CNC(=O)C1(C#N)CC1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064559047 JG Annotated Mild COc1ccc(NC(=S)NNC(=O)c2cn(C3CC3)c3c(OC)c(F)c(F)cc3c2=O)cc1 ZINC000064559460 JG Annotated Reactive CC(C)(CNC(=O)[C@@H]1CCCCO1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064559465 JG Annotated Anodyne CC(C)(CNC(=O)[C@H]1CCCCO1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064559466 JG Annotated Anodyne CC(C)(CNC(=O)c1ncccc1O)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064559533 JG Annotated Anodyne CC(C)(CNC(=O)C1(C#N)CCOCC1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064559821 JG Annotated Mild CC(C)(CNC(=O)c1cnccn1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064560186 JG Annotated Anodyne CC(C)(CNC(=O)c1cocn1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064560234 JG Annotated Anodyne CC(C)(CNC(=O)[C@@H]1CCCO1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064573663 JG Annotated Anodyne CC(C)(CNC(=O)[C@H]1CCCO1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064573665 JG Annotated Anodyne CCCN[C@H]1COCCN1c1nc(N2CCc3ccccc3C2)nc(N2CCc3ccccc3C2)n1 ZINC000064637946 JG Annotated Anodyne CCCn1c(-c2ccc(F)cc2)nc2c(N3CCN(CCC(=O)OCC)CC3)nc(C)nc21 ZINC000064637985 JG Annotated Anodyne NC(=O)C12CC3C[C@@H](C1)C(OC(=O)N1CC[C@H](Nc4ncccc4C(F)(F)F)C1)[C@H](C3)C2 ZINC000064746237 JG Annotated Anodyne COc1cc(N2CCN(C)CC2)ccc1/N=C1/N=C[C@@H](Cl)C(Nc2cccc3c2C(=O)N(C)C3)=N1 ZINC000064746620 JG Annotated Reactive CN(C)c1ccc(NC(=O)CSCc2nc(O)c3nnn(Cc4ccc(F)cc4)c3n2)cc1 ZINC000006528987 JG Annotated Anodyne N#Cc1cccc(NC(=O)N2CCC(c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[nH]3)CC2)c1 ZINC000006529621 JG Annotated Mild CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000006576804 JG Annotated Anodyne CCOc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000006577198 JG Annotated Anodyne aggregator Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NCCN(C)C1CCCCC1 ZINC000006577424 JG Annotated Anodyne COc1ccc2c(c1)CCc1cc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)sc1-2 ZINC000006577964 JG Annotated Anodyne O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCn2c1nc1ccccc12 ZINC000006577992 JG Annotated Anodyne CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@@H]4C2=O)CC1 ZINC000006578107 JG Annotated Anodyne CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1 ZINC000006578208 JG Annotated Anodyne CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1 ZINC000006578209 JG Annotated Anodyne CC#CCn1c(N2CCC[C@@H](N)C2)nc2cnn(CC3=Nc4ccccc4Oc4ccccc43)c(=O)c21 ZINC000006718140 JG Annotated Mild CC#CCn1c(N2CCC[C@H](N)C2)nc2cnn(CC3=Nc4ccccc4Oc4ccccc43)c(=O)c21 ZINC000006718145 JG Annotated Mild Nc1ncc(-c2cc([C@@H]3C[C@H](N4C[C@@H]5C[C@H]4CO5)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653661103 JG Annotated Anodyne C[C@@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc([C@@H]3C[C@@H](N4CCOCC4)C3)n2)C1 ZINC000653661110 JG Annotated Anodyne C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc([C@@H]3C[C@@H](N4CCOCC4)C3)n2)C1 ZINC000653661111 JG Annotated Anodyne Nc1ncc(-c2cc([C@H]3CC[C@@H](N4CCOCC4)C3)nc(N3C[C@H](F)[C@H](F)C3)n2)cc1OC(F)F ZINC000653664341 JG Annotated Anodyne Nc1ncc(-c2cc([C@H]3CC[C@H](N4CCOCC4)C3)nc(N3C[C@H](F)[C@H](F)C3)n2)cc1OC(F)F ZINC000653664342 JG Annotated Anodyne CC[C@@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653665376 JG Annotated Anodyne CC[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653665377 JG Annotated Anodyne CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O ZINC000653666152 JG Annotated Anodyne c1cc2c(N3[C@H]4CC[C@H]3COC4)nc(N3CCC(COCCN4CCCC4)CC3)nc2s1 ZINC000653670157 JG Annotated Anodyne O=C1CNc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2O1 ZINC000653674077 JG Annotated Anodyne COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nc(N2CC3CC2C3)n1 ZINC000653676800 JG Annotated Anodyne C[C@@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CN4CC(F)F)n2)C1 ZINC000653678253 JG Annotated Anodyne C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CN4CC(F)F)n2)C1 ZINC000653678254 JG Annotated Anodyne Nc1ncc(-c2cc([C@@H]3C[C@H](N4CCOCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653679387 JG Annotated Anodyne NC(=O)[C@H]1CCN(c2nc(N3[C@H]4CC[C@H]3CC(CO)C4)c3c(-c4ccccc4)csc3n2)C1 ZINC000653681020 JG Annotated Anodyne NC(=O)[C@@H]1CCN(c2nc(N3[C@H]4CC[C@H]3CC(CO)C4)c3c(-c4ccccc4)csc3n2)C1 ZINC000653681021 JG Annotated Anodyne Nc1ncc(-c2cc([C@@H]3C[C@@H](N4CCOCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653686464 JG Annotated Anodyne Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(I)c2n1 ZINC000653687501 JG Annotated Anodyne Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 ZINC000653689066 JG Annotated Anodyne N#CC1=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000653689383 JG Annotated Reactive N#CC1=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000653689384 JG Annotated Reactive CN1C(=O)C2=C(Nc3ccccc3)NN(Cc3ccc(C(F)(F)F)nc3)[C@@H]2N2C1=N[C@@H]1CCC[C@@H]12 ZINC000653692025 JG Annotated Anodyne CN1C(=O)C2=C(Nc3ccccc3)NN(Cc3ccc(C(F)(F)F)nc3)[C@H]2N2C1=N[C@@H]1CCC[C@@H]12 ZINC000653692026 JG Annotated Anodyne CCOC(=O)[C@@H](CCC(=O)O)CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000653697726 JG Annotated Anodyne CCOC(=O)[C@H](CCC(=O)O)CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000653697727 JG Annotated Anodyne CCOC(=O)[C@@H](CCC(=O)O)CP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C ZINC000653699466 JG Annotated Anodyne CCOC(=O)[C@H](CCC(=O)O)CP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C ZINC000653699467 JG Annotated Anodyne O=C(NNC(=O)c1ccccc1O)Nc1cccc2c1C(=O)c1c(-c3ccc(O)cc3)n[nH]c1-2 ZINC000653700301 JG Annotated Reactive COC(=O)c1c(C(F)(F)F)[n+](=O)c2ccc(N3CCN(c4ccc(F)cc4)CC3)cc2n1O ZINC000653702297 JG Annotated Anodyne Cc1ccc(S(=O)(=O)[C@H]2CN=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC2=O)c(C)c1 ZINC000653704236 JG Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CN=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC2=O)c(C)c1 ZINC000653704237 JG Annotated Anodyne COc1cccc([C@H]2[C@@H](Cl)C(=O)N2c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O ZINC000653707788 JG Annotated Reactive COc1cccc([C@H]2[C@H](Cl)C(=O)N2c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O ZINC000653707791 JG Annotated Reactive COc1cccc([C@@H]2[C@@H](Cl)C(=O)N2c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O ZINC000653707793 JG Annotated Reactive COc1cccc([C@@H]2[C@H](Cl)C(=O)N2c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O ZINC000653707794 JG Annotated Reactive C#CCCCC(=O)NCCOCCOCCOc1ccc(C(=O)c2ccc(/C=C/C(=O)O)cc2)cc1 ZINC000653708637 JG Annotated Mild N#CC1=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C([N+](=O)[O-])[C@]12C(=O)Nc1ccc(F)cc12 ZINC000653708764 JG Annotated Reactive N#CC1=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C([N+](=O)[O-])[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000653708765 JG Annotated Reactive O=C(O)CCNc1nc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc(-n2cccn2)n1 ZINC000653709727 JG Annotated Anodyne Nc1c(C(=O)N/N=C/c2ccc(S(=O)(=O)C(F)(F)F)cc2)oc2nc(C(F)(F)F)ccc12 ZINC000653716073 JG Annotated Reactive CC/C(C)=C/C(=O)O[C@H]1[C@@H](C)C[C@@H]2O[C@@]1(O)[C@H](O)[C@]1(C)CC[C@@H](O1)C(C)(C)/C=C/[C@@H](C)C2=O ZINC000653717928 JG Annotated Anodyne COc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)COc4ccccc4)CC3)nc1-2 ZINC000653719010 JG Annotated Anodyne COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN(C)CC5(C)COC5)cc4)C3)o2)cc1 ZINC000653720278 JG Annotated Anodyne CC(C)(C)[Si](C)(C)ON(C(=O)c1ccccc1)[C@@H]1NC(=O)[C@H]1NC(=O)COc1ccccc1 ZINC000653721776 JG Annotated Reactive Cn1cc2c3c(c[nH]c3c1=O)CN(c1ncc(F)cc1F)c1ccc(CS(C)(=O)=O)cc1-2 ZINC000653721787 JG Annotated Anodyne CCOC(=O)c1cc(C(=O)c2cccc(F)c2)n2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc12 ZINC000653722463 JG Annotated Anodyne COC(=O)CC[C@@H](CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)C(=O)OC ZINC000653723982 JG Annotated Anodyne COC(=O)CC[C@H](CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)C(=O)OC ZINC000653723983 JG Annotated Anodyne Cc1ccc2c(c1)cc([C@@H]1C3=C(CC(C)(C)CC3=O)n3c(=O)c4ccccc4c(=O)n31)c1nnnn12 ZINC000653724713 JG Annotated Mild Cc1ccc2c(c1)cc([C@H]1C3=C(CC(C)(C)CC3=O)n3c(=O)c4ccccc4c(=O)n31)c1nnnn12 ZINC000653724714 JG Annotated Mild Cc1ccc2cc([C@@H]3C4=C(CC(C)(C)CC4=O)n4c(=O)c5ccccc5c(=O)n43)c3nnnn3c2c1 ZINC000653724754 JG Annotated Mild Cc1ccc2cc([C@H]3C4=C(CC(C)(C)CC4=O)n4c(=O)c5ccccc5c(=O)n43)c3nnnn3c2c1 ZINC000653724755 JG Annotated Mild COC(=O)c1cccc(NC(=O)c2cc(-n3cc(-c4ccc5c(c4)OCCO5)nn3)ccc2O)c1 ZINC000653726441 JG Annotated Anodyne CCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)c(C)n2)n(C)c(=O)n3C)c1 ZINC000653726448 JG Annotated Anodyne COC(=O)c1cccc(NC(=O)c2cc(-n3cc(-c4ccc5c(c4)OCO5)nn3)ccc2O)c1 ZINC000653726553 JG Annotated Anodyne COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4cccc(C)n4)nn3)ccc2O)c1 ZINC000653726718 JG Annotated Anodyne CN(CCO)CN1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c2ccccc21 ZINC000653729583 JG Annotated Reactive CC(C)C[C@@H](NC(=O)C[C@H](NC(=O)[C@H]1CCCc2ccccc21)c1cccc(F)c1)B(O)O ZINC000653730187 JG Annotated Reactive CC(C)C[C@@H](NC(=O)C[C@@H](NC(=O)[C@H]1CCCc2ccccc21)c1cccc(F)c1)B(O)O ZINC000653730189 JG Annotated Reactive Oc1ncnc2c(-n3cc(CCN4CCC(Cc5ccc6c(c5)OCO6)CC4)cn3)nccc12 ZINC000653730877 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC3(C[C@H]2C(=O)N/N=C/c2ccccc2F)SCCS3)cc1 ZINC000653730878 JG Annotated Reactive COCCS(=O)(=O)CCC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000653735419 JG Annotated Mild CC/C=C/C=C/[C@@]1(C)OC([C@H]2[C@@H](C)C(=O)c3cc(OC)c(O)c(O)c3[C@@]2(C)O)=C(C(=O)OC)C1=O ZINC000653735497 JG Annotated Mild COCCS(=O)(=O)CCC(=O)N1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 ZINC000653735514 JG Annotated Mild COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CCC[C@]21C ZINC000653735638 JG Annotated Anodyne CN1C(=O)[C@@H](NC(=O)c2cc(Cc3cccc(C4(C(F)(F)F)N=N4)c3)[nH]n2)COc2ccccc21 ZINC000653739206 JG Annotated Anodyne COc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(CN5CCCC5)nc4)CC3)o2)cc1 ZINC000653739295 JG Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccc(OC)cc3)C(=O)N2C2CCN(C(=O)n3cncn3)CC2)cc1 ZINC000653742652 JG Annotated Anodyne COc1ccc([C@H]2C(=O)N(C3CCN(C(=O)n4cncn4)CC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000653742697 JG Annotated Anodyne CSN1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@@H]1N(OCc1ccccc1)C(=O)c1ccccc1 ZINC000653742702 JG Annotated Anodyne CSN1C(=O)[C@@H](NC(=O)Cc2ccccc2)[C@@H]1N(OCc1ccccc1)C(=O)c1ccccc1 ZINC000653743797 JG Annotated Anodyne Cc1cccc2cc([C@@H]3C4=C(CC(C)(C)CC4=O)n4c(=O)c5ccccc5c(=O)n43)c3nnnn3c12 ZINC000653747661 JG Annotated Mild Cc1cccc2cc([C@H]3C4=C(CC(C)(C)CC4=O)n4c(=O)c5ccccc5c(=O)n43)c3nnnn3c12 ZINC000653747662 JG Annotated Mild Nc1ncc(-c2cc([C@H]3CC[C@@H](N4CCOCC4)C3)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F ZINC000653748711 JG Annotated Anodyne Nc1ncc(-c2cc([C@H]3CC[C@H](N4CCOCC4)C3)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F ZINC000653748712 JG Annotated Anodyne CS(=O)(=O)c1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3cccs3)C2)cc1 ZINC000653749457 JG Annotated Anodyne CS(=O)(=O)c1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3cccs3)C2)cc1 ZINC000653749458 JG Annotated Anodyne COc1ccc(-c2noc(C3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)n2)cc1 ZINC000653751815 JG Annotated Anodyne COc1ccc(-c2noc(C3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)n2)cc1 ZINC000653751820 JG Annotated Anodyne COc1ccccc1-c1csc2nc(N3CCC[C@@H](C(N)=O)C3)nc(N3[C@H]4CC[C@H]3COC4)c12 ZINC000653752895 JG Annotated Anodyne Nc1ncc(-c2cc(N3CC(N4CCC(F)CC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653753027 JG Annotated Anodyne Nc1ncc(-c2cc([C@@H]3C[C@@H](N4C[C@@H]5C[C@H]4CO5)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653753154 JG Annotated Anodyne CC(C)[C@H](NC(=O)[C@@H]1C[C@H](Oc2ccc(Br)cc2)CN1C(=O)OC(C)(C)C)C(=O)O ZINC000653754345 JG Annotated Anodyne CNC(=O)[C@H](NC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)C(C)(C)C ZINC000653754939 JG Annotated Anodyne COc1ccccc1-c1csc2nc(N3CC[C@@H](C(N)=O)C3)nc(N3[C@H]4CC[C@H]3COC4)c12 ZINC000653755660 JG Annotated Anodyne C[C@@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc([C@@H]3C[C@H](N4CCOCC4)C3)n2)C1 ZINC000653755714 JG Annotated Anodyne C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc([C@@H]3C[C@H](N4CCOCC4)C3)n2)C1 ZINC000653755716 JG Annotated Anodyne CN1C(C(=O)/C=C/c2cn(-c3ccc(C(F)(F)F)cc3)nn2)=C(O)c2ccccc2S1(=O)=O ZINC000653757853 JG Annotated Mild CN1C(C(=O)/C=C/c2cn(-c3ccc(F)c(Cl)c3)nn2)=C(O)c2ccccc2S1(=O)=O ZINC000653757919 JG Annotated Mild COc1ccccc1-c1csc2nc(N3[C@H]4CC[C@H]3CC(O)C4)nc(N3CC[C@@H](C(N)=O)C3)c12 ZINC000653758376 JG Annotated Anodyne CC(=O)Oc1ccc(C[C@@H](OC(C)=O)C(=O)O[C@H](C)c2nc(C)c(C)nc2C)cc1OC(C)=O ZINC000653758697 JG Annotated Anodyne CC(=O)Oc1ccc(C[C@@H](OC(C)=O)C(=O)O[C@@H](C)c2nc(C)c(C)nc2C)cc1OC(C)=O ZINC000653758701 JG Annotated Anodyne CN1C(C(=O)/C=C/c2cn(-c3cccc(C(F)(F)F)c3)nn2)=C(O)c2ccccc2S1(=O)=O ZINC000653759972 JG Annotated Mild CN1C(C(=O)/C=C/c2cn(-c3ccccc3Br)nn2)=C(O)c2ccccc2S1(=O)=O ZINC000653759973 JG Annotated Mild NC(=O)[C@@H]1CN(c2nc(N3[C@H]4CC[C@H]3COC4)c3c(-c4ccccc4Cl)csc3n2)CCO1 ZINC000653760504 JG Annotated Anodyne NC(=O)[C@H]1CN(c2nc(N3[C@H]4CC[C@H]3COC4)c3c(-c4ccccc4Cl)csc3n2)CCO1 ZINC000653760505 JG Annotated Anodyne CCC[C@@H](O)[C@H](O)C#Cc1csc2c(=NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)[nH]c12 ZINC000653760511 JG Annotated Mild CO[C@H]1C[C@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CCC(F)(F)C2)n1 ZINC000653760701 JG Annotated Anodyne CO[C@@H]1C[C@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CCC(F)(F)C2)n1 ZINC000653760703 JG Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(O)c4nccnc34)cc2)CC1 ZINC000653761922 JG Annotated Anodyne O[C@@](CN1CCC(c2nnc(-c3ccccc3)o2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000653762346 JG Annotated Anodyne O[C@](CN1CCC(c2nnc(-c3ccccc3)o2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000653762347 JG Annotated Anodyne Nc1ncc(-c2cc(N3CC(N4CCCCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653763532 JG Annotated Anodyne COc1ccc(-c2nnc(C3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)o2)cc1 ZINC000653764463 JG Annotated Anodyne COc1ccc(-c2nnc(C3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)o2)cc1 ZINC000653764464 JG Annotated Anodyne CCOC(=O)c1c(-c2ccc(F)cc2)nc(=O)n(Cc2ccc(C(=O)/C=C(\O)C(=O)O)cc2)c1C ZINC000653767409 JG Annotated Mild CCOC(=O)c1c(Cc2ccccc2)nc(=O)n(Cc2ccc(C(=O)/C=C(\O)C(=O)O)cc2)c1C ZINC000653767436 JG Annotated Mild COc1ncc(-c2cc(NC(C)=O)c3ncc(-c4cccc(C(=O)N(C)C)c4)n3c2)c(OC)n1 ZINC000653767458 JG Annotated Anodyne CCS(=O)(=O)CC1(O)CCN(C(=O)c2ccc(NSc3cccc4nccnc34)cc2)CC1 ZINC000653767498 JG Annotated Anodyne C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc([C@@H]3C[C@@H](N4C[C@@H]5C[C@H]4CO5)C3)n2)C1 ZINC000653767520 JG Annotated Anodyne O=C(CCCCCCCc1cn(-c2ccc(CN3CCOCC3)cc2)nn1)N=c1cc[nH]cc1 ZINC000653768495 JG Annotated Anodyne CC(C)(O)CN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nc(N2CC3CC2C3)n1 ZINC000653768945 JG Annotated Anodyne CC(C)(O)CN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc(N2CC3CC2C3)n1 ZINC000653768980 JG Annotated Anodyne O=C(O)CCNc1nc(N2CCN(c3ccc(F)cc3)CC2)cc(-n2cc3ccccc3n2)n1 ZINC000653771371 JG Annotated Anodyne CCNC(=O)Nc1cn(-c2ncc(Br)cn2)c2cc(-c3ccn(C)c(=O)c3)cnc12 ZINC000653773219 JG Annotated Clean O=S(=O)([C@H]1CCOC1)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000653774626 JG Annotated Anodyne O=S(=O)([C@H]1CCOC1)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000653774627 JG Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cc(N)cc(F)c3s2)CC1 ZINC000653779572 JG Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cc(N)cc(F)c3s2)CC1 ZINC000653779573 JG Annotated Anodyne C[C@@H]1C[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]4(CN2C1=O)N(C)C3=O)C(=O)Nc1c5ccc2c1C=CC(C)(C)O2 ZINC000653779584 JG Annotated Anodyne C[C@@H]1C[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]4(CN2C1=O)N(C)C3=O)C(=O)Nc1cc2c(cc15)OC(C)(C)C=CO2 ZINC000653779739 JG Annotated Anodyne COc1cc([C@H]2CC(c3ccco3)=NN2c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC ZINC000653780478 JG Annotated Anodyne COc1cc([C@@H]2CC(c3ccco3)=NN2c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC ZINC000653780479 JG Annotated Anodyne CCN1CCN(C[C@H]2CN(c3ccc(-n4cc(-c5ccccn5)cn4)c(F)c3)C(=O)O2)CC1 ZINC000653782549 JG Annotated Anodyne CC1(CS(C)(=O)=O)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1 ZINC000653784804 JG Annotated Anodyne COc1cnc(-c2cc(-c3ccc(F)c([C@]4(C)C[S@]5(=O)=NCCCCN5C(=N)N4)c3)on2)cn1 ZINC000653784903 JG Annotated Anodyne COc1cnc(-c2cc(-c3ccc(F)c([C@]4(C)C[S@@]5(=O)=NCCCCN5C(=N)N4)c3)on2)cn1 ZINC000653784912 JG Annotated Anodyne CN1C(=O)[C@@]23CCC(=O)N2C[C@@]12C[C@@]1(C(=O)Nc4c1ccc1c4C=CC(C)(C)O1)C(C)(C)[C@@H]2C3 ZINC000653784979 JG Annotated Anodyne Cc1c(C(F)(F)F)cc2nc(C(=O)N[C@@H](CCO)C(=O)N3CCCCC3)sc2c1[N+](=O)[O-] ZINC000653786088 JG Annotated Bother CC(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2cnn(C)c2)CC1 ZINC000653791323 JG Annotated Anodyne COc1cc2c(cc1OCCCNC(=O)c1cc(OC)c(OC)c(OC)c1)N=C[C@@H]1CCCN1C2=O ZINC000653792905 JG Annotated Anodyne O=S(=O)(c1ccccc1)n1cc(Cn2cc(-c3c[nH]c4ncccc34)nn2)c2cccnc21 ZINC000653792910 JG Annotated Anodyne CC(=O)Nc1nc2ccc(OCC3=NN(C(C)=O)[C@H](c4ccc([N+](=O)[O-])cc4)O3)cc2s1 ZINC000653793019 JG Annotated Bother CC(=O)Nc1nc2ccc(OCC3=NN(C(C)=O)[C@@H](c4ccc([N+](=O)[O-])cc4)O3)cc2s1 ZINC000653793020 JG Annotated Bother CC(C)(C)OC(=O)NC(=NCCc1cc(NC(=O)N=c2cc[nH]cc2)no1)NC(=O)OC(C)(C)C ZINC000653795383 JG Annotated Mild O=S(=O)(c1ccccc1)n1cc(Cn2cc(-c3cc4cccnc4[nH]3)nn2)c2cccnc21 ZINC000653796623 JG Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(C(=O)OC)cc3s2)CC1 ZINC000653799941 JG Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(C(=O)OC)cc3s2)CC1 ZINC000653799943 JG Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(C(=O)O)cc3s2)CC1 ZINC000653799960 JG Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(C(=O)O)cc3s2)CC1 ZINC000653799961 JG Annotated Anodyne Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(C#CC[C@H](N)C(=O)O)nc(N)n2)C(F)(F)F)n1 ZINC000653802161 JG Annotated Mild Cc1cccc(-n2c(N)c(NC(=O)c3c(C)c(O)c(C)c4c3OC(C)(C)C4)c(=O)n(C)c2=O)c1C ZINC000653802226 JG Annotated Anodyne O=C1CSC(=O)N1C[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1 ZINC000653802231 JG Annotated Anodyne CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3cc[n+](CC(=O)c4ccc(Br)cc4)c3)[C@H]12 ZINC000653803640 JG Annotated Mild CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3cc[n+](CC(=O)c4ccc(Br)cc4)c3)[C@@H]12 ZINC000653803642 JG Annotated Mild CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3cc[n+](CC(=O)c4ccc(Br)cc4)c3)[C@H]12 ZINC000653803644 JG Annotated Mild CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3cc[n+](CC(=O)c4ccc(Br)cc4)c3)[C@@H]12 ZINC000653803647 JG Annotated Mild Cc1ccc(-n2c(N)c(NC(=O)c3c(C)c(O)c(C)c4c3OC(C)(C)C4)c(=O)n(C)c2=O)cc1C ZINC000653806054 JG Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cccc(C(=O)O)c3s2)CC1 ZINC000653807531 JG Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cccc(C(=O)O)c3s2)CC1 ZINC000653807532 JG Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cccc(C(=O)OC)c3s2)CC1 ZINC000653807603 JG Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cccc(C(=O)OC)c3s2)CC1 ZINC000653807604 JG Annotated Anodyne CC(C)OC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)C(=O)C(C)C ZINC000653808007 JG Annotated Anodyne Cc1cc(C)cc(-n2c(N)c(NC(=O)c3c(C)c(O)c(C)c4c3OC(C)(C)C4)c(=O)n(C)c2=O)c1 ZINC000653810865 JG Annotated Anodyne Cn1cc(S(=O)(=O)N2C[C@@H](c3ccc(F)cc3)C(c3cccc(C(F)(F)F)c3)=N2)nn1 ZINC000653817122 JG Annotated Anodyne Cn1cc(S(=O)(=O)N2C[C@H](c3ccc(F)cc3)C(c3cccc(C(F)(F)F)c3)=N2)nn1 ZINC000653817123 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NCCCCN=c2c(C#N)c[nH]c3c2cnn3-c2ccccc2)cc1 ZINC000653819821 JG Annotated Mild N#Cc1c[nH]c2c(cnn2-c2ccccc2)c1=NCCCCNS(=O)(=O)c1ccc(F)cc1 ZINC000653819864 JG Annotated Mild COC1CN(C(=O)c2ccc3cncc(-c4ccc(-c5cnn(CC(C)(C)O)c5)cc4)c3n2)C1 ZINC000653822708 JG Annotated Anodyne O=c1oc2ccc(Br)cc2c(=O)n1-c1ccc(I)cc1F ZINC000653823118 JG Annotated Anodyne O=c1oc2ccc(I)cc2c(=O)n1-c1ccc(Br)cc1F ZINC000653830104 JG Annotated Anodyne COc1cc(Cl)ccc1OCCN[C@@H](C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 ZINC000653833250 JG Annotated Anodyne COc1cc(Cl)ccc1OCCN[C@H](C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 ZINC000653833251 JG Annotated Anodyne CCOC(=O)C(=O)Nc1ccc(NC(=O)c2cc(Br)c(Br)[nH]2)cc1 ZINC000653833275 JG Annotated Anodyne C[C@@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1Br ZINC000653835865 JG Annotated Anodyne C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1Br ZINC000653835866 JG Annotated Anodyne N#Cc1c(O)nc(NNc2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)nc1-c1ccccc1 ZINC000653836220 JG Annotated Mild CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C(=O)NCCN(CC)CC)nc4)s3)[nH]nc21 ZINC000653837642 JG Annotated Clean CN1C(=O)NC(=O)C12CCN(c1c(Cl)cncc1-c1ccc(-c3cnn(C)c3)cc1)CC2 ZINC000653842137 JG Annotated Anodyne COc1ccc(CC(=O)OCC(=O)N=c2c3c([nH]c4ccccc24)CCCC3)c(OC)c1OC ZINC000653842811 JG Annotated Anodyne CN1c2ccc(-c3cncc(C(F)(F)F)c3N3CCC4(CCNC4=O)CC3)cc2CS1(=O)=O ZINC000653843521 JG Annotated Anodyne O=c1nc(O)c(I)c(COCc2ccccc2)n1COCc1ccccc1 ZINC000653843957 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N(CCN2CCC(OCC(=O)O)CC2)c2ccc(C)cc2)c1 ZINC000653844201 JG Annotated Anodyne O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F)N1CCCC1 ZINC000653844295 JG Annotated Anodyne CCN(CC)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F ZINC000653844316 JG Annotated Anodyne CCSC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)OC(=O)c3c(F)c(F)c(F)c(F)c3F)[C@H]2[C@H]1C ZINC000653845111 JG Annotated Anodyne CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3OCC(C)C)cc(=O)n12 ZINC000653846549 JG Annotated Anodyne O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(-c3cnn(CCO)c3)cc1)CC2 ZINC000653846581 JG Annotated Anodyne O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F)C1CCOCC1 ZINC000653850836 JG Annotated Anodyne COCCS(=O)(=O)n1ccc2c(-c3ccc(C(F)(F)F)cc3)cc(N3CCN(C)CC3)nc21 ZINC000653851985 JG Annotated Anodyne COc1ccc(C(=O)OCC(=O)N=c2c3c([nH]c4ccccc24)CCCC3)c(OC)c1OC ZINC000653853898 JG Annotated Anodyne COc1cc(C(=O)OCC(=O)N=c2c3c([nH]c4ccccc24)CCCC3)cc(OC)c1OC ZINC000653854033 JG Annotated Anodyne C[C@H](/C=C/C=C/C=C/[C@H](O)CC(=O)O)[C@@H](O)[C@H](C)C[C@@H](C)[C@H](O)CC(=O)c1ccc(N)cc1 ZINC000653854379 JG Annotated Anodyne COC1=N[C@]23CN4CC[C@@](C)(O)[C@]14C[C@H]2C(C)(C)[C@@]1(C3)C(=O)Nc2c1ccc1c2C(=O)CC(C)(C)O1 ZINC000653856152 JG Annotated Anodyne C[C@H]1CCN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6C(=O)CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]12C(=O)N4 ZINC000653857032 JG Annotated Anodyne CC(C)OC(=O)N1CCC(n2ncc3cc(-c4cc(F)c(C(=O)NCCO)cc4F)ncc32)CC1 ZINC000653859573 JG Annotated Anodyne COc1cc(-c2nnc(SCC(=O)c3ccc(Br)cc3)n2N)cc(OC)c1OC ZINC000653859599 JG Annotated Anodyne COc1ccc(-n2c(C)nc3c(NCCN4CCOCC4)nc(-c4ccc(C#N)cc4)nc32)cc1OC ZINC000653861798 JG Annotated Mild COc1ccc(-n2c(C)nc3c(NCCN4CCOCC4)nc(-c4ccc(O)cc4)nc32)cc1OC ZINC000653861826 JG Annotated Anodyne CC(=O)O[C@@H]1C=CC(=O)O[C@@H]1[C@@H](COC(=O)c1c(Cl)cc(Cl)cc1Cl)OC(C)=O ZINC000653861861 JG Annotated Anodyne CCN(C(=O)CO)[C@H]1CN(C(=NC#N)Nc2cccc(OC)c2)N=C1c1ccc(Cl)c(Cl)c1 ZINC000653864072 JG Annotated Mild CC1(C)O[C@H]2O[C@@H]3COB(c4ccc(/C=N/c5ccc(Br)cc5)cc4)O[C@@H]3[C@H]2O1 ZINC000653866711 JG Annotated Mild CCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1C(=O)Nc1cccc(Nc2ncccn2)c1 ZINC000653869210 JG Annotated Anodyne COc1ccc(/C=N/NC(=O)c2sc(N(C)C(=O)NC(=O)c3c(F)cccc3F)nc2C)cc1 ZINC000653869217 JG Annotated Reactive CS(=O)(=O)NCc1cccc(-n2c(/C=C/c3ccc(C#N)cc3)nc3ccccc3c2=O)c1 ZINC000653869524 JG Annotated Mild COc1ccc(-n2c(C)nc3c(NCCN4CCOCC4)nc(C#Cc4ccccc4)nc32)cc1OC ZINC000653872537 JG Annotated Mild C/C(=N\NC(=O)[C@@H](C#N)C(=S)S)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000653874470 JG Annotated Reactive C/C(=N\NC(=O)[C@H](C#N)C(=S)S)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000653874471 JG Annotated Reactive CCN(C(=O)CO)[C@@H]1CN(C(=NC#N)Nc2ccc(OC(F)F)cc2)N=C1c1ccc(Cl)cc1 ZINC000653880703 JG Annotated Mild CCN(C(=O)CO)[C@H]1CN(C(=NC#N)Nc2ccc(OC(F)F)cc2)N=C1c1ccc(Cl)cc1 ZINC000653880704 JG Annotated Mild COc1ccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)cn2)cc1 ZINC000653884638 JG Annotated Anodyne Cc1nc(N(C)C(=O)NC(=O)c2c(F)cccc2F)sc1C(=O)N/N=C/c1ccccc1 ZINC000653884772 JG Annotated Reactive CCN(C(=O)CO)[C@@H]1CN(C(=NC#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)cc1 ZINC000653889511 JG Annotated Mild CCN(C(=O)CO)[C@@H]1CN(C(=NC#N)Nc2ccc(F)c(Cl)c2)N=C1c1ccc(Cl)cc1 ZINC000653889522 JG Annotated Mild CCN(C(=O)CO)[C@H]1CN(C(=NC#N)Nc2ccc(F)c(Cl)c2)N=C1c1ccc(Cl)cc1 ZINC000653889525 JG Annotated Mild CN1CCN(CC(=O)N2CC3[C@H](c4ccccc4)CC(N(C)C)(C[C@H]3c3ccccc3)C2)CC1 ZINC000653890221 JG Annotated Anodyne CN1CCN(CC(=O)N2CC3[C@@H](c4ccccc4)CC(N(C)C)(C[C@@H]3c3ccccc3)C2)CC1 ZINC000653890222 JG Annotated Anodyne CN1CCN(CC(=O)N2C[C@@H]3[C@@H](c4ccccc4)C[C@](N(C)C)(C[C@H]3c3ccccc3)C2)CC1 ZINC000653890224 JG Annotated Anodyne COc1ccc(-n2c(-c3ccc(C#N)cc3)nc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC ZINC000653894829 JG Annotated Mild CC1(C)O[C@H]2O[C@@H]3COB(c4cccc(/C=N/c5ccc(Br)cc5)c4)O[C@@H]3[C@H]2O1 ZINC000653899329 JG Annotated Mild COc1cc(-c2nnc(SCC(=O)c3cccc(Br)c3)n2N)cc(OC)c1OC ZINC000653899392 JG Annotated Anodyne Cc1cc(Nc2ccc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)cc2)nc(-c2cccnc2)n1 ZINC000653912109 JG Annotated Anodyne Cc1cc(Nc2ccc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2)nc(-c2cccnc2)n1 ZINC000653912111 JG Annotated Anodyne COc1ccc(-n2c(-c3ccc(O)cc3)nc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC ZINC000653912861 JG Annotated Anodyne COc1ccc(-n2c(C#Cc3ccccc3)nc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC ZINC000653912912 JG Annotated Mild CC(C)(C)OC(=O)NCCN/C=C1\C(=O)CC[C@]2(C)C1=C(O)C(=O)c1cc3c(cc12)C(=O)C=CC3=O ZINC000066066020 JG Annotated Mild Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(N(C2CCCC2)S(C)(=O)=O)c1 ZINC000066066484 JG Annotated Anodyne NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@H]3CCCN(Cc4ccc(F)cc4F)C3)cc1-2 ZINC000066066514 JG Annotated Anodyne NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@@H]3CCCN(Cc4ccc(F)cc4F)C3)cc1-2 ZINC000066066515 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)O[C@@H](C)C(F)(F)F)CC[C@@H](N[C@@H]2CCOC[C@@H]2F)C1 ZINC000066073726 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)O[C@@H](C)C(F)(F)F)CC[C@@H](N[C@H]2CCOC[C@@H]2F)C1 ZINC000066073727 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)O[C@@H](C)C(F)(F)F)CC[C@@H](N[C@@H]2CCOC[C@H]2F)C1 ZINC000066073728 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)O[C@@H](C)C(F)(F)F)CC[C@@H](N[C@H]2CCOC[C@H]2F)C1 ZINC000066073729 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H](C)C(F)(F)F)CC[C@@H](N[C@@H]2CCOC[C@@H]2F)C1 ZINC000066073730 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H](C)C(F)(F)F)CC[C@@H](N[C@H]2CCOC[C@@H]2F)C1 ZINC000066073731 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H](C)C(F)(F)F)CC[C@@H](N[C@@H]2CCOC[C@H]2F)C1 ZINC000066073732 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H](C)C(F)(F)F)CC[C@@H](N[C@H]2CCOC[C@H]2F)C1 ZINC000066073733 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(F)(F)F)CC[C@@H](N[C@@H]2CCOC[C@@H]2F)C1 ZINC000066073734 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(F)(F)F)CC[C@@H](N[C@H]2CCOC[C@@H]2F)C1 ZINC000066073735 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(F)(F)F)CC[C@@H](N[C@@H]2CCOC[C@H]2F)C1 ZINC000066073736 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(F)(F)F)CC[C@@H](N[C@H]2CCOC[C@H]2F)C1 ZINC000066073737 JG Annotated Anodyne O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)cnn1-c1ccccc1 ZINC000066073858 JG Annotated Anodyne CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cc(F)cc(Cl)c3)c(=O)c2OC2CCCC2)CC1 ZINC000066074202 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2F)C1 ZINC000066074969 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)CC[C@@H](N[C@H]2CCOC[C@@H]2F)C1 ZINC000066074971 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)CC[C@@H](N[C@@H]2CCOC[C@H]2F)C1 ZINC000066074973 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)CC[C@@H](N[C@H]2CCOC[C@H]2F)C1 ZINC000066074976 JG Annotated Anodyne CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)[C@@H]1C(=O)[C@H](O)C[C@@H](O)[C@]1(C)O)OC ZINC000066075126 JG Annotated Mild CN(C)[C@@H]1CCc2cc(N3CC[C@H](NS(=O)(=O)c4ccc5c(Cl)c[nH]c5c4)C3=O)ccc21 ZINC000066077565 JG Annotated Anodyne CN(C)[C@H]1CCc2cc(N3CC[C@H](NS(=O)(=O)c4ccc5c(Cl)c[nH]c5c4)C3=O)ccc21 ZINC000066077567 JG Annotated Anodyne O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000066077980 JG Annotated Anodyne O=C1[C@@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CCN1c1ccc([C@@H]2CCCN2)cc1F ZINC000066079180 JG Annotated Anodyne O=C1[C@@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CCN1c1ccc([C@H]2CCCN2)cc1F ZINC000066079182 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC2CCCC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2F)C1 ZINC000066079466 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC2CCCC2)CC[C@@H](N[C@H]2CCOC[C@@H]2F)C1 ZINC000066079468 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC2CCCC2)CC[C@@H](N[C@@H]2CCOC[C@H]2F)C1 ZINC000066079469 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC2CCCC2)CC[C@@H](N[C@H]2CCOC[C@H]2F)C1 ZINC000066079471 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)CC[C@@H](N[C@@H]2CCOC[C@@H]2F)C1 ZINC000066097539 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)CC[C@@H](N[C@H]2CCOC[C@@H]2F)C1 ZINC000066097547 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)CC[C@@H](N[C@@H]2CCOC[C@H]2F)C1 ZINC000066097552 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)CC[C@@H](N[C@H]2CCOC[C@H]2F)C1 ZINC000066097553 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC2CCCC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2F)C1 ZINC000066098430 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC2CCCC2)CC[C@@H](N[C@H]2CCOC[C@@H]2F)C1 ZINC000066098432 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC2CCCC2)CC[C@@H](N[C@@H]2CCOC[C@H]2F)C1 ZINC000066098433 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC2CCCC2)CC[C@@H](N[C@H]2CCOC[C@H]2F)C1 ZINC000066098435 JG Annotated Anodyne COc1ccc(CN2CCC[C@H](n3cc4c(n3)CCc3c-4sc(NC(N)=O)c3C(N)=O)C2)c(F)c1 ZINC000066098782 JG Annotated Anodyne COc1ccc(CN2CCC[C@@H](n3cc4c(n3)CCc3c-4sc(NC(N)=O)c3C(N)=O)C2)c(F)c1 ZINC000066098784 JG Annotated Anodyne CN(C)S(=O)(=O)N(C)Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)no1 ZINC000066099172 JG Annotated Anodyne C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl ZINC000066099202 JG Annotated Bother O=C1C[C@H](c2c(O)cc(C(=O)O)c3nc4cccc(O)c4nc23)Cc2nc3cccc(O)c3nc21 ZINC000066099468 JG Annotated Bother CC(=O)O[C@H]1[C@@H](C(=O)c2cnc3sc(C(=O)c4ccc(Cl)cc4)cn23)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000066100392 JG Annotated Anodyne Nc1nc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c2nc(-c3ccc(F)cc3)sc2n1 ZINC000066100454 JG Annotated Anodyne COc1cc(-c2nnc3n2CCCN3S(=O)(=O)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000066101009 JG Annotated Anodyne COc1ccc(OCC(=O)N2CCN(c3nc(N)nc4sc(-c5ccc(F)cc5)nc34)CC2)cc1 ZINC000066101218 JG Annotated Anodyne Cc1cc(NC[C@H](C)NS(=O)(=O)C2CC2)c2cnn(-c3cccc(C(=O)NC(C)C)c3)c2c1 ZINC000066101461 JG Annotated Anodyne CC(C)(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(OCCO)nc21 ZINC000066101883 JG Annotated Anodyne C#CCNC(=O)CNc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1 ZINC000066102298 JG Annotated Mild C#CCn1c(=O)c2c(-c3cncn3C)n(Cc3ccnc4ccc(Cl)cc34)nc2n(CC2CC2)c1=O ZINC000066102683 JG Annotated Mild CO[C@H]1[C@@H](C(=O)c2cn3cc(C(=O)c4ccc(Cl)cc4)nc3s2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000066103894 JG Annotated Anodyne C=CC(=O)N1CCC[C@@H](N(C)c2nc(Nc3ccc(N(C)C(=O)CC)cc3)nc3[nH]cnc23)C1 ZINC000066104093 JG Annotated Anodyne C=CC(=O)N1CCC[C@H](N(C)c2nc(Nc3ccc(N(C)C(=O)CC)cc3)nc3[nH]cnc23)C1 ZINC000066104095 JG Annotated Anodyne CO[C@H]1[C@@H](C(=O)c2cnc3sc(C(=O)c4ccc(Cl)cc4)cn23)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000066112484 JG Annotated Anodyne CCOC(=O)c1cn(C2CC2)c2c(C)c(N3CCC4=C(C3)[C@H](O)CCS4)c(N)cc2c1=O ZINC000066112745 JG Annotated Anodyne CCOC(=O)c1cn(C2CC2)c2c(C)c(N3CCC4=C(C3)[C@@H](O)CCS4)c(N)cc2c1=O ZINC000066112746 JG Annotated Anodyne COc1nc2c(cc1NCc1c(F)cc(F)cc1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C ZINC000066112751 JG Annotated Anodyne O[C@H]1[C@H](O)CO[C@@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Br)cccc32)[C@@H]1O ZINC000066113058 JG Annotated Anodyne CN1CCc2cc(N3CC[C@H](NS(=O)(=O)/C=C/c4ccc(Cl)s4)C3=O)ccc2C1 ZINC000066123281 JG Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C1 ZINC000066123581 JG Annotated Mild COC(=O)C1=C(C(=O)OC)[C@H]2N(Cc3ccccc3)c3ccccc3[C@@]23CCC(=O)N(CC2CC2)C3=N1 ZINC000066129423 JG Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@H]2N(Cc3ccccc3)c3ccccc3[C@]23CCC(=O)N(CC2CC2)C3=N1 ZINC000066129425 JG Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@]23CCC(=O)N(CC2CC2)C3=N1 ZINC000066129427 JG Annotated Anodyne CCN1C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H](c2ccccc2)[C@@H](C(=O)OC)[C@@H]1C ZINC000066136300 JG Annotated Anodyne CCN1C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H](c2ccccc2)[C@H](C(=O)OC)[C@@H]1C ZINC000066136301 JG Annotated Anodyne CCCCc1nc2c(c3c1C[C@@H](C)OC3)CN(S(=O)(=O)c1ccccc1C(=O)OC)CC2 ZINC000066138889 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](N[C@@H]2CCOC[C@@H]2F)C1 ZINC000066139835 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](N[C@H]2CCOC[C@@H]2F)C1 ZINC000066139838 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](N[C@@H]2CCOC[C@H]2F)C1 ZINC000066139840 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](N[C@H]2CCOC[C@H]2F)C1 ZINC000066139844 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)CC[C@@H](N[C@@H]2CCOC[C@@H]2F)C1 ZINC000066139847 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)CC[C@@H](N[C@H]2CCOC[C@@H]2F)C1 ZINC000066139850 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)CC[C@@H](N[C@@H]2CCOC[C@H]2F)C1 ZINC000066139854 JG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)CC[C@@H](N[C@H]2CCOC[C@H]2F)C1 ZINC000066139857 JG Annotated Anodyne NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@H]3CCCN(Cc4ccccc4)C3)cc1-2 ZINC000066156796 JG Annotated Anodyne NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@@H]3CCCN(Cc4ccccc4)C3)cc1-2 ZINC000066156798 JG Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N1CCc2nc(COc3ccccc3)c3c(c2C1)CO[C@H](C)C3 ZINC000066166613 JG Annotated Anodyne C=C1C[C@H]2O[C@H]([C@@H]3[C@@H]([C@@H](C)CO)CCC(=C)[C@H]23)[C@](C)(OC(=O)[C@H](CC)OC(C)=O)CC[C@@H]1O ZINC000066251052 JG Annotated Mild C=C1C[C@H]2O[C@H]([C@@H]3[C@@H]([C@@H](C)CO)CCC(=C)[C@H]23)[C@](C)(OC(=O)[C@@H](CC)OC(C)=O)CC[C@@H]1O ZINC000066251053 JG Annotated Mild COc1ncc(C#N)cc1-c1ccc([C@@H](C)NS(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1 ZINC000066252243 JG Annotated Mild in-vivo Cc1ccc(CN2C(=O)[C@@H]3CS[C@]4(C(=O)Nc5ccc(Br)cc54)N3C2=O)cc1 ZINC000066252432 JG Annotated Anodyne NC(=O)c1cc(C(N)=O)n(-c2cccc(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2)n1 ZINC000066258295 JG Annotated Anodyne O=S(=O)(c1ccccc1)c1ccc(-c2nnc3sc(-c4cc(O)c(O)c(O)c4)nn23)cc1 ZINC000066258689 JG Annotated Clean COc1cc(OC(F)(F)F)cc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)c1 ZINC000066259221 JG Annotated Anodyne CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(Oc3ccccc3)O[C@H]2[C@@]1(C)F ZINC000066259471 JG Annotated Anodyne CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(Oc3ccccc3)O[C@H]2[C@@]1(C)F ZINC000066259472 JG Annotated Anodyne CCCCNc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(OC(C)C)O[C@H]2[C@@]1(C)F ZINC000066262525 JG Annotated Anodyne O=C(NCc1ccc(OCC(F)(F)F)nc1)[C@H]1c2ccccc2C(=O)N1CCc1ccccn1 ZINC000068196512 JG Annotated Anodyne O=C(NCc1ccc(OCC(F)(F)F)nc1)[C@@H]1c2ccccc2C(=O)N1CCc1ccccn1 ZINC000068196514 JG Annotated Anodyne COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc(N(C)C)cc2)cc(OC)c1Br ZINC000068198195 JG Annotated Reactive COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc(N(C)C)cc2)cc(OC)c1Br ZINC000068198197 JG Annotated Reactive COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc(N3CCOCC3)cc2)cc(OC)c1Br ZINC000068198203 JG Annotated Reactive COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc(N3CCOCC3)cc2)cc(OC)c1Br ZINC000068198205 JG Annotated Reactive Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4CCc5ccccc5CC4)CC3)CC2)ccn1 ZINC000068200732 JG Annotated Anodyne Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)CC2)ccn1 ZINC000068200738 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@H](N)CC3)c1 ZINC000068245432 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@H](N)CC3)c1 ZINC000068245433 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)c1 ZINC000068245434 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)c1 ZINC000068245435 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)cc2)[C@H](N)CC3)c1 ZINC000068245444 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)cc2)[C@H](N)CC3)c1 ZINC000068245445 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)cc2)[C@@H](N)CC3)c1 ZINC000068245446 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)cc2)[C@@H](N)CC3)c1 ZINC000068245447 JG Annotated Anodyne Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)cc2)[C@H](N)CC3)cn1 ZINC000068245448 JG Annotated Anodyne Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)cc2)[C@H](N)CC3)cn1 ZINC000068245449 JG Annotated Anodyne Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)cc2)[C@@H](N)CC3)cn1 ZINC000068245450 JG Annotated Anodyne Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)cc2)[C@@H](N)CC3)cn1 ZINC000068245451 JG Annotated Anodyne CC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(S(C)(=O)=O)ccc54)ncn3)CC2)n1 ZINC000068245909 JG Annotated Anodyne NC(=O)c1cccc2c(NCc3ccc(NC(=O)c4cc(C(F)(F)F)[nH]n4)cc3)ncnc12 ZINC000068245990 JG Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2nn3c(-c4cnc(N)c(C(F)(F)F)c4)cnc3s2)c1 ZINC000068247395 JG Annotated Anodyne Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CCN(CCC(=O)O)C2 ZINC000068247800 JG Annotated Anodyne COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1cnn3ccccc13)CC2 ZINC000068248115 JG Annotated Anodyne C[C@]1(Oc2ccccc2)C[C@H](Oc2ccccc2)[C@@H]2[C@H](OC(=O)[C@H]2CO)[C@H]2O[C@]2(C)CCC1=O ZINC000069482521 JG Annotated Anodyne in-vitro biogenic CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1Oc1ccccc1)[C@@H]32 ZINC000069482536 JG Annotated Anodyne in-vitro biogenic C[C@@H]1[C@H]([C@@H](O)[C@@H](C)C(C)(C)O)O[C@H]2C[C@@]3(O)C4=CC(=O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 ZINC000070450918 JG Annotated Anodyne C=C1CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@H](O)[C@@](O)(CO)[C@H]5CC[C@]24C)[C@H]3C1 ZINC000070450984 JG Annotated Mild in-vitro biogenic C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C)[C@H]1C[C@@]2(C)O[C@@]2(C)[C@@H](O)O1 ZINC000070454206 JG Annotated Mild in-vitro biogenic O=C(O)c1ccccc1N/N=C1\CCNC(=O)c2[nH]c(Br)c(Br)c21 ZINC000070460196 JG Annotated Mild O=C(O)c1ccc(N/N=C2\CCNC(=O)c3[nH]c(Br)c(Br)c32)cc1 ZINC000070460198 JG Annotated Mild O=C1NCC/C(=N\Nc2ccc([N+](=O)[O-])cc2)c2c1[nH]c(Br)c2Br ZINC000070460203 JG Annotated Mild CC(C)N1CNc2c(N(CCN(C)C)Cc3ccccc3)nc(N3CCCC[C@@H]3CCO)nc21 ZINC000070719299 JG Annotated Anodyne COc1ccc(C(=O)N2CCN(Cc3cn(-c4cc(C)nc5ccc(OC)cc45)nn3)CC2)cc1 ZINC000071280643 JG Annotated Anodyne COc1ccc2nc(C)cc(-n3cc(CN4CCN(C(=O)c5ccc(F)cc5)CC4)nn3)c2c1 ZINC000071281704 JG Annotated Anodyne CC(C)CCO[C@@H]1C=C([C@H](O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[C@@H](COC(=O)C(C)(C)C)O1 ZINC000071282441 JG Annotated Mild CCN(CCNC(=O)c1cnc2cc(I)ccc2n1)CCc1ccnc(F)c1 ZINC000071294236 JG Annotated Anodyne COc1ccc2nc(C)cc(-n3cc(CN4CCN(C(=O)c5ccccc5F)CC4)nn3)c2c1 ZINC000071294663 JG Annotated Anodyne N=C(NC[C@@H]1CCCO1)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 ZINC000071294665 JG Annotated Bother N=C(NC[C@H]1CCCO1)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 ZINC000071294666 JG Annotated Bother CCN(CCNC(=O)c1cnc2cc(I)ccc2n1)Cc1ccnc(F)c1 ZINC000071294732 JG Annotated Anodyne COc1cc(O)c2c(c1Cl)C(=O)OCCCCC(=S)N[C@H](c1nc(CN)no1)CSC2 ZINC000071295031 JG Annotated Anodyne CCO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC(F)F)CC[C@@]1(C)N ZINC000071296111 JG Annotated Mild CCO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC(F)F)CC[C@]1(C)N ZINC000071296112 JG Annotated Mild C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@H]2C[C@H]1C[C@H]3O ZINC000071296202 JG Annotated Mild CC(C)=CC[C@]12Oc3cc4c(c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12)C[C@H](O)C(C)(C)O4 ZINC000071296247 JG Annotated Anodyne in-vitro C=C1[C@H]2CC[C@@]3(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@@H]3C2)[C@H]1O ZINC000071296266 JG Annotated Mild in-vitro C=C1[C@H]2CC[C@@]3(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@H]3C2)[C@H]1O ZINC000071296267 JG Annotated Mild CC[C@@H]1CO[C@H](C(=O)Nc2ccccc2)CN1c1cc(-c2ccc3c(N)[nH]nc3c2)nc(NC)n1 ZINC000071315829 JG Annotated Anodyne CN(C)CCNc1cc(-c2ccccc2)c2c(N)c(C(=O)N/N=C/c3cncn3C)sc2n1 ZINC000071316220 JG Annotated Reactive COc1cc(O)c2c(c1Cl)C(=O)OCCCCC(=O)N[C@H](c1nc(C)no1)CSC2 ZINC000071316630 JG Annotated Anodyne C[C@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1cc[n+]([O-])c2ccccc12 ZINC000071316685 JG Annotated Anodyne O=C(O)[C@@H]1CSc2c(C3CC3)c(CNS(=O)(=O)c3cccc4ccccc34)cc(=O)n21 ZINC000071316991 JG Annotated Anodyne CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)n1 ZINC000071317259 JG Annotated Anodyne CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(NS(C)(=O)=O)c1 ZINC000071317414 JG Annotated Anodyne CC(C)=CC[C@]12Oc3cc4c(c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12)C[C@@H](O)C(C)(C)O4 ZINC000071317860 JG Annotated Anodyne in-vitro CC(C)=CC[C@]12Oc3cc4c(c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12)C[C@H](C(C)(C)O)O4 ZINC000071317874 JG Annotated Anodyne in-vitro CN1CCN(c2cnc3cccc(OC(=O)c4cccn(-c5ccc(F)cc5)c4=O)c3c2)CC1 ZINC000071318103 JG Annotated Anodyne CC1=C2OCCCCCN3C(=O)[C@@](O)(c4cc(I)ccc43)[C@@]2(C)SC1=O ZINC000071318132 JG Annotated Mild CC1=C2OCCCCCN3C(=O)[C@@](O)(c4cc(I)ccc43)[C@]2(C)SC1=O ZINC000071318133 JG Annotated Mild CC1=C2OCCCCCN3C(=O)[C@](O)(c4cc(I)ccc43)[C@@]2(C)SC1=O ZINC000071318134 JG Annotated Mild CC1=C2OCCCCCN3C(=O)[C@](O)(c4cc(I)ccc43)[C@]2(C)SC1=O ZINC000071318135 JG Annotated Mild O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CN(C(=O)CCSCCO)C/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000071318290 JG Annotated Mild CC(C)(C)OC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1 ZINC000071318329 JG Annotated Anodyne CC1CCN(S(=O)(=O)c2cn(Cc3ccc(F)cc3)c3cnc4c(c23)CCN(O)C4=O)CC1 ZINC000071318370 JG Annotated Clean C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@@H]2C[C@H]1[C@@H](O)C3 ZINC000071318698 JG Annotated Mild C=C1C[C@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@H]2C[C@H]1[C@@H](O)C3 ZINC000071318699 JG Annotated Mild CCN(CCNC(=O)c1cnc2cc(I)ccc2n1)c1cccc(F)n1 ZINC000071319129 JG Annotated Anodyne O=C(O)COC1CN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)C1 ZINC000071319132 JG Annotated Anodyne O=C(/C=C/c1cccn1CCC(CO)CO)NCCCCC1CCN(C(=O)c2ccccc2)CC1 ZINC000071319280 JG Annotated Anodyne O=C(NC[C@@H](O)CO)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br ZINC000071329492 JG Annotated Reactive COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@H]4[C@H](O)[C@@H](CO)[C@]23O)c(C)c1Cl ZINC000071330071 JG Annotated Anodyne CC(C)=CC[C@]12Oc3cc4c(c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12)C[C@@H](C(C)(C)O)O4 ZINC000071330176 JG Annotated Anodyne in-vitro COc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000071331200 JG Annotated Anodyne CCOC(=O)/C(=C\c1ccc(O)c(O)c1)c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O ZINC000071331972 JG Annotated Clean COc1cc(/C=N/Nc2cc(N/N=C/c3cc(OC)c(OC)c(OC)c3)[nH]n2)cc(OC)c1OC ZINC000071332426 JG Annotated Mild O=C1NCCCC[C@H]1N(Cc1ccc2snnc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000071332568 JG Annotated Anodyne CC1(C)c2cc(OCCN3CCS(=O)(=O)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21 ZINC000071332870 JG Annotated Mild COCCc1sc(S(=O)(=O)/N=C(\O)Nc2cc(C(F)(F)F)c(F)c(N)n2)cc1C ZINC000071333103 JG Annotated Mild COc1cc(-c2nnc(Cc3nnc(-c4cc(OC)c(OC)c(OC)c4)o3)o2)cc(OC)c1OC ZINC000071333198 JG Annotated Anodyne C/C(=C/Cc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)O[C@](C)(CO)C=C3)CO ZINC000071334424 JG Annotated Anodyne C/C(=C/Cc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)O[C@@](C)(CO)C=C3)CO ZINC000071334425 JG Annotated Anodyne CCCNC(=O)c1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000071334587 JG Annotated Anodyne O=C1NCCCC[C@H]1N(Cc1ccc2nsnc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000071341224 JG Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CN2CCCC2)cn1 ZINC000071341456 JG Annotated Anodyne C#CCOc1ccc(CONC(=O)c2cc(Br)c(Br)[nH]2)cc1OC ZINC000071341757 JG Annotated Mild CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CN2CCOCC2)cn1 ZINC000071341862 JG Annotated Anodyne CCOCCOc1cc(-c2ccccc2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000071342070 JG Annotated Anodyne CC[C@@H]1CCCCN1CCCNC(=O)CCc1nnc2c(=O)n(-c3cc(C)cc(C)c3)ccn12 ZINC000071927993 JG Annotated Anodyne CC[C@H]1CCCCN1CCCNC(=O)CCc1nnc2c(=O)n(-c3cc(C)cc(C)c3)ccn12 ZINC000071927994 JG Annotated Anodyne CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000072103925 JG Annotated Anodyne CCOC(=O)c1c(C)oc2cc(OC(=O)c3ccc(OC)cc3)c(OS(=O)(=O)O)cc12 ZINC000072105463 JG Annotated Anodyne O=S1(=O)c2ccc(cc2)Cn2cc[n+](c2)Cc2ccc(cc2)C[n+]2ccn(c2)Cc2ccc1cc2 ZINC000072105980 JG Annotated Anodyne O=S1(=O)c2ccc(cc2)Cn2cc[n+](c2)Cc2ccccc2C[n+]2ccn(c2)Cc2ccc1cc2 ZINC000072106397 JG Annotated Anodyne O=C(Nc1ccnn1-c1cccc(F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 ZINC000072107421 JG Annotated Anodyne CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@@H]1/N=N/c1ccc(O)c([N+](=O)[O-])c1 ZINC000072107623 JG Annotated Reactive CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@H]1/N=N/c1ccc(O)c([N+](=O)[O-])c1 ZINC000072107624 JG Annotated Reactive CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@@H]1/N=N/c1ccc(O)cc1 ZINC000072107745 JG Annotated Reactive CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@H]1/N=N/c1ccc(O)cc1 ZINC000072107746 JG Annotated Reactive COc1ccc(/N=N/[C@H]2C(=O)N(n3c(CCl)nc4ccccc4c3=O)C(=S)N=C2C)cc1O ZINC000072107749 JG Annotated Reactive COc1ccc(/N=N/[C@@H]2C(=O)N(n3c(CCl)nc4ccccc4c3=O)C(=S)N=C2C)cc1O ZINC000072107750 JG Annotated Reactive CC(C)[C@@H](C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000072108708 JG Annotated Anodyne CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@](O)([C@@H](C)[C@@H](C)O)[C@@H](C(=O)O)[C@H]3C2=CO1 ZINC000072108739 JG Annotated Mild CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@](O)([C@@H](C)[C@@H](C)O)[C@@H](C(=O)O)[C@H]3C2=CO1 ZINC000072108740 JG Annotated Mild CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@](O)([C@H](C)[C@@H](C)O)[C@@H](C(=O)O)[C@H]3C2=CO1 ZINC000072108741 JG Annotated Mild CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@](O)([C@H](C)[C@@H](C)O)[C@@H](C(=O)O)[C@H]3C2=CO1 ZINC000072108742 JG Annotated Mild C[C@@H](CO)C1=C2[C@H]3C[C@H](O)C(COC(=O)c4ccccc4)=C[C@H](O)[C@]3(C)CC[C@@]2(CO)CC1 ZINC000072109983 JG Annotated Anodyne CCOC(=O)[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3nc2N2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000072110118 JG Annotated Anodyne CCOC(=O)[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCC[C@H](C(=O)OCC)C2)C1 ZINC000072110119 JG Annotated Anodyne N/C(=N\c1ncc(-c2ccc(-c3cnc(/N=C(\N)c4ccccn4)nc3)o2)cn1)c1ccccn1 ZINC000072112087 JG Annotated Mild N/C(=N\c1cnc(-c2ccc(-c3cnc(/N=C(\N)c4ccccn4)cn3)o2)cn1)c1ccccn1 ZINC000072112294 JG Annotated Mild C/C=C(\C)C(=O)OC[C@@]12[C@@H](O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]2(O)COC(C)=O ZINC000072112515 JG Annotated Anodyne COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(S(C)(=O)=O)CCN1C3 ZINC000072113242 JG Annotated Bother COC(=O)CN1CCN2Cc3c(c4cc(OC)c(OC)cc4c4cc(OC)ccc34)C[C@H]2C1 ZINC000072113243 JG Annotated Bother CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(OCc3cc(OC)cc(OC)c3)cc21 ZINC000072113439 JG Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(OCc3cc(OC)cc(OC)c3)cc21 ZINC000072113440 JG Annotated Anodyne C#CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000072113689 JG Annotated Mild C#CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000072113690 JG Annotated Mild O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCCN1CCCCC1)c1ccc(Br)cn21 ZINC000072116798 JG Annotated Clean N#CC1=C(N)Oc2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2[C@H]1c1ccc(Cl)cc1 ZINC000072116855 JG Annotated Reactive N#CC1=C(N)Oc2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2[C@@H]1c1ccc(Cl)cc1 ZINC000072116856 JG Annotated Reactive CCOc1ccc2c(=O)cc(CC)oc2c1CN1CCN(C(=O)C(=O)c2cccs2)CC1 ZINC000072117004 JG Annotated Anodyne O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)N1CCN(C2CCNCC2)CC1 ZINC000072117010 JG Annotated Reactive Cc1c2c(=O)[nH]n(CCN3CCN(C/C=C/c4ccccc4)CC3)c(=O)c2c(C)n1-c1ccccc1 ZINC000072117169 JG Annotated Anodyne O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCCN1CCCC1)c1ccc(Br)cn21 ZINC000072118818 JG Annotated Clean O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCN1CCCCC1)c1ccc(Br)cn21 ZINC000072118819 JG Annotated Clean O=C1c2cccnc2C(=O)c2c1c(C(=O)N1CCSCC1)c1ccc(Br)cn21 ZINC000072118837 JG Annotated Clean CCN(CC)CCCNC(=O)c1c2c(n3cc(Br)ccc13)C(=O)c1ncccc1C2=O ZINC000072118919 JG Annotated Clean O=S1(=O)c2ccc(cc2)Cn2cc[n+](c2)Cc2cccc(c2)C[n+]2ccn(c2)Cc2ccc1cc2 ZINC000072120549 JG Annotated Anodyne Cc1cnc([C@@H]2C[C@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)nc2)o1 ZINC000072122791 JG Annotated Anodyne Cc1cnc([C@H]2C[C@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)nc2)o1 ZINC000072122792 JG Annotated Anodyne N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000072123159 JG Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000072123160 JG Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ncc(-c3ccc(C(F)(F)F)cc3)cn1)C2 ZINC000072123517 JG Annotated Bother COc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2c1 ZINC000072123574 JG Annotated Reactive COc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2c1 ZINC000072123575 JG Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(-c3ccc(C(F)(F)F)nc3)cn1)C2 ZINC000072123599 JG Annotated Bother C=C1C(=O)C[C@H]2[C@H](OC(=O)CC(C)(C)O)[C@@H]1[C@H](OC(=O)/C(C)=C\C)[C@]1(C)C(=O)C=C[C@H]1[C@@H]2C ZINC000072124841 JG Annotated Mild COc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)c3ccccc3C4=O)cc2c1 ZINC000072124980 JG Annotated Reactive CC1=C(c2nnc(/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)s2)[C@H](c2ccccc2)NC(=S)N1 ZINC000072125817 JG Annotated Mild CC1=C(c2nnc(/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)s2)[C@@H](c2ccccc2)NC(=S)N1 ZINC000072125818 JG Annotated Mild C=C1C(=O)C[C@H]2[C@H](OC(=O)C[C@@](C)(O)CC)[C@@H]1[C@H](OC(=O)/C(C)=C\C)[C@]1(C)C(=O)C=C[C@H]1[C@@H]2C ZINC000072126075 JG Annotated Mild C=C1C(=O)C[C@H]2[C@H](OC(=O)C[C@](C)(O)CC)[C@@H]1[C@H](OC(=O)/C(C)=C\C)[C@]1(C)C(=O)C=C[C@H]1[C@@H]2C ZINC000072126076 JG Annotated Mild N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000072126127 JG Annotated Reactive C=C1CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@H](O)[C@@](O)(CO)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000072128480 JG Annotated Mild C(=C/c1ccccc1)\CN1CCN([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000072134056 JG Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000072134057 JG Annotated Anodyne CN(C)CC#Cc1cccc(-c2nc(C(=O)O)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000072134983 JG Annotated Mild CN(C)CC#Cc1cccc(-c2nc(C(=O)O)cc3c2[C@@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000072134984 JG Annotated Mild Cc1ccc(S(=O)(=O)N(C)[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2[C@H](C)O)cc1 ZINC000072137988 JG Annotated Anodyne CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCC(n2c(O)nc3ccccc32)CC1 ZINC000072138173 JG Annotated Anodyne CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCC(n2c(O)nc3ccccc32)CC1 ZINC000072138174 JG Annotated Anodyne COc1cc(C(=O)N2Cc3ccc(Br)cc3-n3nncc3C2)cc(OC)c1OC ZINC000072139346 JG Annotated Anodyne COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)cc12 ZINC000072140824 JG Annotated Anodyne CCOc1ccc2c(=O)cc(CC)oc2c1CN1CCN(C(=O)C(=O)Cc2ccccc2)CC1 ZINC000072141553 JG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ncc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 ZINC000072142411 JG Annotated Bother Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(CNC(=O)CN)c1 ZINC000072171966 JG Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](C(=O)N[C@@H](C)C(=O)O)N(C(=O)[C@H](C)N)[C@H]1Nc1ccccc12 ZINC000072173313 JG Annotated Anodyne COc1ccnc(C[S@](=O)c2nc3cc(N4CCCCC4)c(NC(C)=O)cc3[nH]2)c1OC ZINC000072173426 JG Annotated Anodyne COc1ccnc(C[S@@](=O)c2nc3cc(N4CCCCC4)c(NC(C)=O)cc3[nH]2)c1OC ZINC000072173427 JG Annotated Anodyne COCCCc1cc(C)c(C)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1 ZINC000072173597 JG Annotated Anodyne COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2c(F)cccc21 ZINC000072173630 JG Annotated Anodyne COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2ncccc2c1 ZINC000072174428 JG Annotated Anodyne O=C(O)CCNc1sc2c(c1Cc1nnc(S)n1NC(=O)c1ccccc1)CCCC2 ZINC000072175667 JG Annotated Anodyne COC(=O)c1nnn([C@@H]2C(=O)N(c3ccc(Cl)cc3)[C@@H]2/C=C/c2ccccc2)c1C(=O)OC ZINC000072176682 JG Annotated Anodyne CCN(CC)CCCn1c(=O)/c(=C/c2ccc(F)cc2F)s/c1=C1/C(=O)Nc2cc(F)ccc21 ZINC000072177497 JG Annotated Anodyne C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CC(c2ccccc2Br)=NO3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072177672 JG Annotated Mild CCN(CC)CCCn1c(=O)/c(=C/c2ccc(F)c(F)c2)s/c1=C1/C(=O)Nc2ccc(F)cc21 ZINC000072177687 JG Annotated Anodyne C#Cc1cc2c(cc1N1CCN(C3COC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O ZINC000072178970 JG Annotated Mild CN1CCN(Cn2nc(CN3C(=O)CSc4ccccc43)n(/N=C/c3ccccc3)c2=S)CC1 ZINC000072179139 JG Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4nnc5ncccn45)c(F)c3)c(F)c2)C(=O)O1 ZINC000072180452 JG Annotated Anodyne O=C1CSc2ccccc2N1Cc1nn(CN2CCOCC2)c(=S)n1/N=C/c1ccccc1 ZINC000072180591 JG Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-c3csc(-c4nnc5ncccn45)c3)c(F)c2)C(=O)O1 ZINC000072181153 JG Annotated Anodyne COc1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)cc1-c1nnc2ncccn12 ZINC000072181397 JG Annotated Anodyne COc1cc(C(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@@H]2CCCC(=O)O)cc(OC)c1OC ZINC000072183544 JG Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072184311 JG Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072184312 JG Annotated Anodyne O=S(=O)(Cc1ccccc1)NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072186342 JG Annotated Anodyne O=S(=O)(Cc1ccccc1)NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072186343 JG Annotated Anodyne COc1ccc(C)n2nc(CCc3nc(-c4cccs4)cn3CCN3CCOCC3)nc12 ZINC000072315145 JG Annotated Anodyne Cc1ccc2nc(C)c(-c3cc4nc(N5CCCC5)cc(N[C@@H]5CCS(=O)(=O)C5)n4n3)nc2c1 ZINC000072316501 JG Annotated Anodyne O=c1[nH]c2ccc(O)c(-c3ccc(S(=O)(=O)NCCBr)cc3)c2c2c1CCC2 ZINC000072317441 JG Annotated Unstable CS(=O)(=O)c1ccc(-n2cc(Cl)c(OC3CCN(c4ncc(Cl)cn4)CC3)cc2=O)cc1 ZINC000072317492 JG Annotated Anodyne O=C(NCCO)[C@@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000072317667 JG Annotated Anodyne O=C(NCCO)[C@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000072317668 JG Annotated Anodyne CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCc1cc(-c2ccc(OC)cc2)on1 ZINC000072322883 JG Annotated Mild CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCc1cc(-c2ccc(OC)c(OC)c2)on1 ZINC000072322894 JG Annotated Mild CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)Nc1nnc(-c2ccccc2OC)s1 ZINC000072323581 JG Annotated Mild N#Cc1cn(Cc2ccccc2)c2ncc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc12 ZINC000072323809 JG Annotated Mild C=CC[C@H]1C=C[C@@H](O/N=C2/c3cc(OC)ccc3O[C@@H](c3cccc(OC)c3)[C@@H]2O)[C@@H](CO)O1 ZINC000073044108 JG Annotated Mild COC/C=C\C1=CC2=CC(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1C1CC1 ZINC000073106224 JG Annotated Mild COC/C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1C1CC1 ZINC000073106227 JG Annotated Mild CCC/C=C\c1ccc(CN2[C@H](C)C(=O)N(Cc3cn(Cc4ccco4)nn3)CCS2(=O)=O)cc1 ZINC000073123438 JG Annotated Anodyne NC(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(O)nc3c2=O)cc1 ZINC000073129996 JG Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@H](O)CSc2ccccn2)cc1 ZINC000073138841 JG Annotated Bother O=S(=O)(N[C@@H](Cc1ccccc1)[C@H](O)CSc1ncccn1)c1ccc(Br)cc1 ZINC000073139335 JG Annotated Anodyne O=C(O)c1cc(-c2ccc(/C=c3\sc4nc(=O)c(-c5ccccc5)nn4c3=O)o2)ccc1Cl ZINC000073139438 JG Annotated Anodyne O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)N/N=C/c1ccc(O)c(O)c1 ZINC000073140590 JG Annotated Reactive O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000073158626 JG Annotated Reactive CO[C@]1(C)O[C@H]2[C@@H](OCc3ccc4ccccc4c3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC ZINC000073161819 JG Annotated Mild COC(=O)N1CC[C@H](NCc2cc(-n3nnnc3C(F)(F)F)ccc2OC)[C@H](c2ccccc2)C1 ZINC000073168039 JG Annotated Anodyne O=C(CN1CCC[C@H](NS(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)C1=O)N1CCCC1 ZINC000073168649 JG Annotated Anodyne C=C1[C@@]2(C)C[C@H]3[C@]4(C)CCC(=O)OC(C)(C)C4=CC[C@]3(C)[C@]1(C(=O)OC)C(=O)[C@@](C)(O)C2=O ZINC000073169573 JG Annotated Mild in-vitro CC1=CC(=O)C[C@@H]2O[C@@H]3C=C(C)[C@@]45Oc6c(C)c(C)oc(=O)c6[C@@H]4O[C@H](O)[C@]54CC[C@@H]1[C@@]2(C)[C@@H]34 ZINC000073170295 JG Annotated Mild COC1(c2cc(F)cc(OCC[S@]3=NS(=O)(=O)c4cc([N+](=O)[O-])ccc43)c2)CCOCC1 ZINC000073196112 JG Annotated Bother COC1(c2cc(F)cc(OCC[S@@]3=NS(=O)(=O)c4cc([N+](=O)[O-])ccc43)c2)CCOCC1 ZINC000073196113 JG Annotated Bother COc1ccc(N2C(=O)N/C(=C\c3cc(C)n(-c4cccc(-c5nnn[nH]5)c4)c3C)C2=O)cc1 ZINC000073196906 JG Annotated Clean Cc1nc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCN(S(C)(=O)=O)CC3)c2)n[nH]1 ZINC000073196934 JG Annotated Anodyne C=C1C[C@@H]2O[C@@H]([C@H]3[C@H](C(C)C)C[C@@H](OC(C)=O)[C@](C)(OC(C)=O)[C@@H]23)[C@@](C)(OC(C)=O)CC[C@H]1O ZINC000073197107 JG Annotated Mild C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@](C)(OC(C)=O)[C@@H](OC(C)=O)C[C@@H]3C(C)C)[C@](C)(OC(C)=O)CC[C@@H]1O ZINC000073197108 JG Annotated Mild COc1c(C)c(O)c(Cc2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)c(O)c1C(C)=O ZINC000073197920 JG Annotated Clean O=C(NCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000073198072 JG Annotated Bother CN1CCC2(CC1)C(=O)Nc1cc(-c3cnc4nnn(Cc5ccc6ncccc6c5)c4n3)ccc12 ZINC000073198251 JG Annotated Anodyne CN(C)CCOCCNc1nc(NCCc2ccc(F)cc2)nc(NCCc2ccc(F)cc2)n1 ZINC000073198659 JG Annotated Anodyne CN(Cc1ccc(OC(F)(F)F)cc1)C1CCN(C(=O)O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)CC1 ZINC000073199014 JG Annotated Bother CN(CCCc1ccccc1)C(=O)[C@H]1CNCC(=O)N1c1ccc(COC(=O)c2ccccc2)cc1 ZINC000073199300 JG Annotated Anodyne CCS(=O)(=O)/N=C(\O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccnc(N)c1 ZINC000073219048 JG Annotated Mild COC(=O)C1=NN(c2ccccc2)[C@@H]2N1c1ccccc1N1C(C(=O)OC)=NN(c3ccccc3)[C@@]21C ZINC000073222698 JG Annotated Anodyne CN(C)CCCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccc(Cl)cc21 ZINC000073224075 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1 ZINC000073224713 JG Annotated Mild in-vitro Oc1ccccc1/C=N/Nc1nc(N/N=C/c2ccccc2O)nc(N/N=C/c2ccccc2O)n1 ZINC000073257999 JG Annotated Mild CCCN(C)CC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CN(C)CCC)cccc1C2=O ZINC000073274146 JG Annotated Clean CC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@H](OCc3ccc(-c4nc5ccc(F)cc5s4)cc3)[C@H]2O1 ZINC000073278835 JG Annotated Anodyne CC(C)=CCn1c(N2CCCNCC2)c(C#N)c2ncn(Cc3nccc4ccccc34)c(=O)c21 ZINC000073280326 JG Annotated Mild CC(C)=CCn1c(N2CCC[C@H](N)C2)c(C#N)c2ncn(Cc3nc(C)c4ccccc4n3)c(=O)c21 ZINC000073292163 JG Annotated Mild CC(C)NCCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CCNC(C)C)cccc1C2=O ZINC000073293445 JG Annotated Clean CCN(C)CCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CCN(C)CC)cccc1C2=O ZINC000073293448 JG Annotated Clean COCC#Cc1cccc([C@@]2(c3ccc(OC(F)F)cc3)N=C(N)N3CC(F)(F)CN=C32)c1 ZINC000073313183 JG Annotated Mild COCC#Cc1cccc([C@]2(c3ccc(OC(F)F)cc3)N=C(N)N3CC(F)(F)CN=C32)c1 ZINC000073313186 JG Annotated Mild C[C@@](O)(CS(=O)(=O)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000073315419 JG Annotated Bother C[C@](O)(CS(=O)(=O)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000073315422 JG Annotated Bother C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000073315425 JG Annotated Bother C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000073315428 JG Annotated Bother C1=N/CCNCCNCC/N=C/c2ccccc2OCc2cccc(n2)COc2ccccc2/1 ZINC000073336614 JG Annotated Anodyne COc1ccc(OC)c2c1C[C@@H]1[C@@H](C#N)N3[C@@H](C)c4c(OC)ccc(OC)c4C[C@@H]3C(=O)N1[C@H]2C ZINC000073353964 JG Annotated Mild COc1ccc(OC)c2c1C[C@@H]1[C@H](C#N)N3[C@@H](C)c4c(OC)ccc(OC)c4C[C@@H]3C(=O)N1[C@H]2C ZINC000073353967 JG Annotated Mild COc1cc(/C=C2\NC(=O)[C@@H]3Cc4c(OC)c(C)c(OC)c(OC)c4[C@H]2N3C)c(OC)c(C)c1OC ZINC000073402548 JG Annotated Anodyne CC(C)O[P@@](=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000073407573 JG Annotated Reactive CC(C)O[P@](=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000073407577 JG Annotated Reactive CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](CNC(=O)c1cccc(OCCCOC)c1)C(C)C ZINC000079138612 JG Annotated Anodyne COCCN(CCOC)c1nc(C)nc2c1nc(-c1ccccc1)n2CC1CCN(C)CC1 ZINC000008017541 JG Annotated Anodyne CCN1CCC[C@@H]1Cn1c(-c2ccccc2)nc2c(N(CCOC)CCOC)nc(C)nc21 ZINC000008017564 JG Annotated Anodyne CCN1CCC[C@H]1Cn1c(-c2ccccc2)nc2c(N(CCOC)CCOC)nc(C)nc21 ZINC000008017572 JG Annotated Anodyne CC1(C)OC[C@@H](CSC2=C(SC[C@H]3COC(C)(C)O3)C(=O)c3cccnc3C2=O)O1 ZINC000008020464 JG Annotated Mild aggregator CC1(C)OC[C@@H](CSC2=C(SC[C@@H]3COC(C)(C)O3)C(=O)c3ncccc3C2=O)O1 ZINC000008020479 JG Annotated Mild aggregator CC1(C)OC[C@H](CSC2=C(SC[C@H]3COC(C)(C)O3)C(=O)c3ncccc3C2=O)O1 ZINC000008020485 JG Annotated Mild aggregator CC1(C)OC[C@@H](CSC2=C(SC[C@H]3COC(C)(C)O3)C(=O)c3ncccc3C2=O)O1 ZINC000008020492 JG Annotated Mild aggregator CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)CCC[C@@H]1C ZINC000008035589 JG Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](C/C=N\O[C@@H](C)CN2CCCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000008035654 JG Annotated Mild CC(=O)OC[C@@H]1O[C@H](C/C=N\O[C@@H](C)CN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000008035655 JG Annotated Mild CC(=O)OC[C@@H]1O[C@H](CCO/N=C(\C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000008035673 JG Annotated Mild C=CC[C@@H]1C=C[C@H](O/N=C2\c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@H]2O)[C@H](CO)O1 ZINC000008035709 JG Annotated Mild COc1cccc([C@@H]2Oc3ccc(OC)cc3/C(=N/OC[C@@H](O)COCc3ccco3)[C@@H]2O)c1 ZINC000008035710 JG Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000008234190 JG Annotated Mild in-man metabolite CCOC(=O)C1=C(O)/C(=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)N=C1C ZINC000008426101 JG Annotated Anodyne C[C@@H]1CC[C@H]2[C@H](CN3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)O[C@]23[C@@H]1CC[C@@]1(C)O[C@H]13 ZINC000082051972 JG Annotated Anodyne COc1ccc(CN(CCCO)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)cc1OC ZINC000082052198 JG Annotated Anodyne COc1ccc(CN(CCCO)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)cc1OC ZINC000082052200 JG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCCN(C/C(O)=N/c3cc(/N=C(\C)O)ccc3OC)CC2)cc1 ZINC000082055997 JG Annotated Mild COc1ccc(CN2CCN=C(O)[C@@H]2C/C(O)=N/CCc2nc(C)c3c(n2)CCC3)cc1C ZINC000082056122 JG Annotated Mild COc1ccc(CN2CCN=C(O)[C@H]2C/C(O)=N/CCc2nc(C)c3c(n2)CCC3)cc1C ZINC000082056123 JG Annotated Mild COc1ccc(Oc2nc(N[C@@H](C)CC#N)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000082066539 JG Annotated Mild COc1ccc(Oc2nc(N[C@H](C)CC#N)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000082066540 JG Annotated Mild Cc1ccccc1-c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCCOCCN(C)C)co1 ZINC000082069218 JG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)OCCOCCN(C)C)co1 ZINC000082069219 JG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)OCCOCCN(C)C)C2)cs1 ZINC000082069680 JG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)OCCOCCN(C)C)C2)cs1 ZINC000082069681 JG Annotated Anodyne CN(C)CCOCCOC(=O)c1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000082069846 JG Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCc3ccc(C(=O)OCCOCCN(C)C)cc3)co2)cc1 ZINC000082069874 JG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)OCCOCCN(C)C)cc2)co1 ZINC000082069887 JG Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C(N)=O)C(C)C)cs1 ZINC000082070194 JG Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C(N)=O)C(C)C)cs1 ZINC000082070195 JG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OCCOCCN(C)C)C(C)C)cs1 ZINC000082070394 JG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OCCOCCN(C)C)C(C)C)cs1 ZINC000082070396 JG Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)N[C@@H]3CCCCNC3=O)co2)cc1 ZINC000082070458 JG Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)N[C@@H]3CCCCNC3=O)co2)cc1 ZINC000082070459 JG Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)N[C@H]3CCCCNC3=O)co2)cc1 ZINC000082070460 JG Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)N[C@H]3CCCCNC3=O)co2)cc1 ZINC000082070461 JG Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C)C(=O)O)cs1 ZINC000082070544 JG Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C)C(=O)O)cs1 ZINC000082070545 JG Annotated Anodyne C[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)N1CCCNCC1 ZINC000082070730 JG Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)N1CCCNCC1 ZINC000082070732 JG Annotated Anodyne COC(=O)[C@H](C)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000082070880 JG Annotated Anodyne COC(=O)[C@@H](C)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000082070881 JG Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(=O)NCC1CCCCC1 ZINC000082070991 JG Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(=O)NCC1CCCCC1 ZINC000082070992 JG Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccccc2C)n1)C(=O)NCC1CCCCC1 ZINC000082071013 JG Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccccc2C)n1)C(=O)NCC1CCCCC1 ZINC000082071014 JG Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)O ZINC000082071047 JG Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)O ZINC000082071048 JG Annotated Anodyne CC(=O)NCSC[C@@H](CO)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082071049 JG Annotated Anodyne CC(=O)NCSC[C@H](CO)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082071050 JG Annotated Anodyne CCCCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082071167 JG Annotated Anodyne CCCCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082071168 JG Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082071284 JG Annotated Mild CCC#CCOC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082071285 JG Annotated Mild CCc1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCCCN2CCCC2)cs1 ZINC000082071613 JG Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCCCN2CCCC2)cs1 ZINC000082071615 JG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCC(=O)NCc2cccc(OC)c2OC)cs1 ZINC000082072036 JG Annotated Anodyne COC(=O)CNC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000082072345 JG Annotated Anodyne CN(C)CCOCCOC(=O)CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072347 JG Annotated Anodyne CN(C)CCOC(=O)CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072351 JG Annotated Anodyne NCCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073203 JG Annotated Anodyne NCCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073206 JG Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N(C)CC(=O)N[C@@H]3CCCCNC3=O)co2)cc1 ZINC000082073693 JG Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N(C)CC(=O)N[C@H]3CCCCNC3=O)co2)cc1 ZINC000082073698 JG Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N(C)CC(=O)O)cs1 ZINC000082073789 JG Annotated Anodyne CN(CC(=O)N1CCCNCC1)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073956 JG Annotated Anodyne COC(=O)CN(C)C(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000082074075 JG Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](COCc3ccccc3)C(=O)OCCOCCN(C)C)co2)cc1 ZINC000082074578 JG Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](COCc3ccccc3)C(=O)OCCOCCN(C)C)co2)cc1 ZINC000082074579 JG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)OCCOCCN(C)C)co1 ZINC000082074617 JG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)OCCOCCN(C)C)co1 ZINC000082074618 JG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)OCCN(C)C)co1 ZINC000082074623 JG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)OCCN(C)C)co1 ZINC000082074624 JG Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N2CCNCC2)cs1 ZINC000082074908 JG Annotated Anodyne O=C(OCCOCCN1CCNCC1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082074949 JG Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082080993 JG Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082080994 JG Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081145 JG Annotated Bother Nc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081146 JG Annotated Bother O=C(N[C@@H]1CCCCNC1=O)[C@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000082081203 JG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000082081204 JG Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)[C@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000082081205 JG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000082081206 JG Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081263 JG Annotated Bother Nc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081264 JG Annotated Bother O=C(N[C@@H]1CCCCNC1=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 ZINC000082081298 JG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 ZINC000082081299 JG Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 ZINC000082081300 JG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 ZINC000082081301 JG Annotated Anodyne O=C(NCCCN1CCCC1)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081330 JG Annotated Bother O=C(NCCCN1CCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081331 JG Annotated Bother O=C(NCCCN1CCCC1)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081430 JG Annotated Bother O=C(NCCCN1CCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081431 JG Annotated Bother CN(C)C(C)(C)COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081492 JG Annotated Bother CN(C)C(C)(C)COC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081493 JG Annotated Bother CN1CCC[C@@H]1COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081500 JG Annotated Bother CN1CCC[C@H]1COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081501 JG Annotated Bother CN(C)C(C)(C)COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081594 JG Annotated Bother CN(C)C(C)(C)COC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081595 JG Annotated Bother CN(C)CCCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081596 JG Annotated Bother CN(C)CCCCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081597 JG Annotated Bother CCCCOC(=O)COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081598 JG Annotated Bother CCCCOC(=O)COC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081599 JG Annotated Bother CN1CCC[C@@H]1COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081603 JG Annotated Bother CN1CCC[C@H]1COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081605 JG Annotated Bother CN(C)CCOCCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 ZINC000082081616 JG Annotated Anodyne CN(C)CCOCCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 ZINC000082081617 JG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082081668 JG Annotated Bother O=C(N[C@H]1CCCCNC1=O)c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082081669 JG Annotated Bother O=C(N[C@@H]1CCCCNC1=O)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000082081728 JG Annotated Bother O=C(N[C@H]1CCCCNC1=O)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000082081729 JG Annotated Bother O=C(NCc1ccc(C(=O)N2CCCNCC2)cc1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082081859 JG Annotated Bother CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1ccccc1N ZINC000082081914 JG Annotated Bother CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1ccccc1N ZINC000082081916 JG Annotated Bother COc1cc(-c2nc3ccc(NS(=O)(=O)c4ccccc4F)cn3n2)cc(OC)c1OC ZINC000082081929 JG Annotated Anodyne CNc1nc2cnc(Nc3ccc(C(=O)OC)cc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082082060 JG Annotated Anodyne CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCCN1CCCC1 ZINC000082082250 JG Annotated Bother CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCCN1CCCC1 ZINC000082082251 JG Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C(=O)NCCCN3CCCC3)C(C)C)cs2)c1 ZINC000082082335 JG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C(=O)NCCCN3CCCC3)C(C)C)cs2)c1 ZINC000082082336 JG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C(=O)OCC(C)(C)N(C)C)C(C)C)cs2)c1 ZINC000082082596 JG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C(=O)OCC(C)(C)N(C)C)C(C)C)cs2)c1 ZINC000082082598 JG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C(=O)OCCCCN(C)C)C(C)C)cs2)c1 ZINC000082082600 JG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C(=O)OCCCCN(C)C)C(C)C)cs2)c1 ZINC000082082602 JG Annotated Anodyne CCCCOC(=O)COC(=O)[C@H](NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1)C(C)C ZINC000082082605 JG Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H](NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1)C(C)C ZINC000082082607 JG Annotated Anodyne CCCCOC(=O)COC(=O)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(C)C ZINC000082082696 JG Annotated Bother CCCCOC(=O)COC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(C)C ZINC000082082697 JG Annotated Bother CC(C)[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCOCCN(C)C ZINC000082082720 JG Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCOCCN(C)C ZINC000082082722 JG Annotated Anodyne COc1cccc(CNC(=O)[C@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC ZINC000082082816 JG Annotated Bother COc1cccc(CNC(=O)[C@@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC ZINC000082082817 JG Annotated Bother CN(C)CC/N=C(\O)c1cccc(-c2cnc3ccc(-c4cccc(NS(C)(=O)=O)c4)nn23)c1 ZINC000082082869 JG Annotated Mild C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000082082872 JG Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000082082874 JG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C)C(=O)NCc3cccc(OC)c3OC)cs2)c1 ZINC000082082949 JG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C)C(=O)NCc3cccc(OC)c3OC)cs2)c1 ZINC000082082952 JG Annotated Anodyne COc1cccc(CNC(=O)[C@H](C)NC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)c1OC ZINC000082083034 JG Annotated Bother COc1cccc(CNC(=O)[C@@H](C)NC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)c1OC ZINC000082083035 JG Annotated Bother CNc1nc2cnc(Nc3cccc(NS(C)(=O)=O)c3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082083381 JG Annotated Anodyne CN(C)CC/N=C(\O)c1cccc(-c2cnc3ccc(-c4ccc(S(C)(=O)=O)cc4)nn23)c1 ZINC000082083413 JG Annotated Mild CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCc1ccco1 ZINC000082084103 JG Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCCC1=CCCCC1 ZINC000082084131 JG Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCCC1=CCCCC1 ZINC000082084132 JG Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCC1CCCCC1 ZINC000082084149 JG Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCC1CCCCC1 ZINC000082084150 JG Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCc1ccco1 ZINC000082084169 JG Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCc1ccco1 ZINC000082084170 JG Annotated Anodyne CCCCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082084232 JG Annotated Anodyne CCCCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082084233 JG Annotated Anodyne CCCCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084291 JG Annotated Anodyne CCCCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084292 JG Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082084359 JG Annotated Mild CCC#CCOC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082084360 JG Annotated Mild CCC#CCOC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084427 JG Annotated Mild CCC#CCOC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084428 JG Annotated Mild O=C(N[C@@H](CSCc1ccccc1)C(=O)N[C@@H]1CCCCNC1=O)c1coc(-c2cccs2)n1 ZINC000082084507 JG Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)N[C@@H]1CCCCNC1=O)c1coc(-c2cccs2)n1 ZINC000082084508 JG Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)N[C@H]1CCCCNC1=O)c1coc(-c2cccs2)n1 ZINC000082084509 JG Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)N[C@H]1CCCCNC1=O)c1coc(-c2cccs2)n1 ZINC000082084510 JG Annotated Anodyne NCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084549 JG Annotated Bother NCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084550 JG Annotated Bother O=C(N[C@@H](CSCc1ccccc1)C(=O)N1CCCNCC1)c1coc(-c2cccs2)n1 ZINC000082084608 JG Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)N1CCCNCC1)c1coc(-c2cccs2)n1 ZINC000082084609 JG Annotated Anodyne NCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084616 JG Annotated Bother NCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084617 JG Annotated Bother CCCCN(CCCC)CCNC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084843 JG Annotated Bother CCCCN(CCCC)CCNC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084895 JG Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)NCCCN3CCCC3)cs2)c1 ZINC000082085328 JG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H]3C(=O)NCCCN3CCCC3)cs2)c1 ZINC000082085329 JG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H]3C(=O)OCC(C)(C)N(C)C)cs2)c1 ZINC000082085502 JG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)OCC(C)(C)N(C)C)cs2)c1 ZINC000082085503 JG Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085551 JG Annotated Bother CCCCOC(=O)COC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085552 JG Annotated Bother COc1cccc(CNC(=O)CN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC ZINC000082085610 JG Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(=O)NCc3cccc(OC)c3OC)cs2)c1 ZINC000082085646 JG Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)NCc1ccco1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085876 JG Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)NCc1ccco1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085877 JG Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)NCCCN1CCCC1)c1coc(-c2cccs2)n1 ZINC000082086038 JG Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)NCCCN1CCCC1)c1coc(-c2cccs2)n1 ZINC000082086039 JG Annotated Anodyne NCCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082086066 JG Annotated Anodyne NCCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082086067 JG Annotated Anodyne CN1CCC[C@@H]1COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082086168 JG Annotated Anodyne CN1CCC[C@H]1COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082086169 JG Annotated Anodyne CN(C)CCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082086178 JG Annotated Bother CN(C)CCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082086179 JG Annotated Bother CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCc1ccco1 ZINC000082089323 JG Annotated Anodyne COc1cccc(CNC(=O)CN(C)C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)c1OC ZINC000082089346 JG Annotated Bother COc1cc2nc(N(C)CCN(C)C(=O)c3cnccn3)nc(NCc3cccs3)c2cc1OC ZINC000082118159 JG Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)CCc3ccc(F)cc3)nc(NC[C@@H](C)O)c2cc1OC ZINC000082118239 JG Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cnccn3)nc(NCc3ccco3)c2cc1OC ZINC000082118511 JG Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cnccn3)nc(NCCCOC(C)C)c2cc1OC ZINC000082118533 JG Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCNC(=O)c2ccoc2)nc2cc(OC)c(OC)cc12 ZINC000082118664 JG Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCNC(=O)c2ccoc2)nc2cc(OC)c(OC)cc12 ZINC000082118665 JG Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc(F)ccc3C)nc(NC[C@@H](C)O)c2cc1OC ZINC000082118676 JG Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc(F)ccc3C)nc(NC[C@H](C)O)c2cc1OC ZINC000082118677 JG Annotated Anodyne COc1cc2nc(NCCCNC(=O)CCc3ccc(F)cc3)nc(NC[C@H](C)O)c2cc1OC ZINC000082118801 JG Annotated Anodyne COc1cc2nc(NCCCNC(=O)CCc3ccc(F)cc3)nc(NC[C@@H](C)O)c2cc1OC ZINC000082118802 JG Annotated Anodyne COCC(=O)NCC(C)(C)CNc1nc(NCc2ccccc2OC)c2cc(OC)c(OC)cc2n1 ZINC000082119473 JG Annotated Anodyne CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2cnccn2)nc2cc(OC)c(OC)cc12 ZINC000082119482 JG Annotated Anodyne CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2cnccn2)nc2cc(OC)c(OC)cc12 ZINC000082119483 JG Annotated Anodyne COCC(=O)NCC(C)(C)CNc1nc(NCCCOC(C)C)c2cc(OC)c(OC)cc2n1 ZINC000082119488 JG Annotated Anodyne CCNc1nc(NCC(C)(C)CNC(=O)c2ccc3[nH]nnc3c2)nc2cc(OC)c(OC)cc12 ZINC000082119515 JG Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)CCc3ccc(F)cc3)nc(NC[C@H](C)O)c2cc1OC ZINC000082119828 JG Annotated Anodyne COCC(=O)NCC(C)(C)CNc1nc(NCc2ccco2)c2cc(OC)c(OC)cc2n1 ZINC000082119900 JG Annotated Anodyne CN1C(=O)[C@@]23C[C@H]4C(C)(C)[C@]5(C[C@]41CN2CC[C@]3(C)O)C(O)=Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000082123175 JG Annotated Anodyne CN1C(=O)[C@@]23C[C@@H]4C(C)(C)[C@]5(C[C@]41CN2CC[C@]3(C)O)C(O)=Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000082123177 JG Annotated Anodyne CC(=O)O[C@H]1c2c3c(cc(O)c2C(=O)O[C@H]1C)O[C@@]1(C)[C@H](O)C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]1C3 ZINC000082123237 JG Annotated Mild CC(=O)O[C@@H](C)[C@](C)(O)C(=O)O[C@@H]1CC[C@@]2(C)CC(=O)C(=C(C)C)C[C@H]2[C@@]1(C)OC(C)=O ZINC000082123351 JG Annotated Mild CC(=O)O[C@H](C)[C@](C)(O)C(=O)O[C@@H]1CC[C@@]2(C)CC(=O)C(=C(C)C)C[C@H]2[C@@]1(C)OC(C)=O ZINC000082123352 JG Annotated Mild CC(=O)O[C@@H](C)[C@@](C)(O)C(=O)O[C@@H]1CC[C@@]2(C)CC(=O)C(=C(C)C)C[C@H]2[C@@]1(C)OC(C)=O ZINC000082123355 JG Annotated Mild CC(=O)O[C@H](C)[C@@](C)(O)C(=O)O[C@@H]1CC[C@@]2(C)CC(=O)C(=C(C)C)C[C@H]2[C@@]1(C)OC(C)=O ZINC000082123357 JG Annotated Mild COc1cc2nc(NC[C@H](O)CO)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000082126557 JG Annotated Anodyne COc1cc2nc(NC[C@@H](O)CO)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000082126560 JG Annotated Anodyne COc1cc2nc(NC[C@H](O)CO)nc(NCc3ccc(C(F)(F)F)cc3)c2cc1OC ZINC000082129552 JG Annotated Anodyne COc1cc2nc(NC[C@@H](O)CO)nc(NCc3ccc(C(F)(F)F)cc3)c2cc1OC ZINC000082129554 JG Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3CCOCC3)c(-c3ccccc3)n2)cc1OC ZINC000082132665 JG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082134614 JG Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082134616 JG Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082134617 JG Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082134620 JG Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082134709 JG Annotated Bother NC(=O)[C@H]1CCCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082134718 JG Annotated Bother NC(=O)[C@@H]1CCCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082134722 JG Annotated Bother CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135018 JG Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(NCCCOC)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135208 JG Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135301 JG Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135302 JG Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135304 JG Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135306 JG Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135315 JG Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135317 JG Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135318 JG Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135319 JG Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135347 JG Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135424 JG Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135425 JG Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135426 JG Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135427 JG Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135654 JG Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082135772 JG Annotated Bother NC(=O)[C@H]1CCCN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135775 JG Annotated Bother NC(=O)[C@@H]1CCCN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135776 JG Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135793 JG Annotated Bother CC(=O)NCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135926 JG Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082136062 JG Annotated Bother CCN(Cc1ccccc1)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136097 JG Annotated Bother CCN(Cc1ccccc1)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136101 JG Annotated Bother CCN(Cc1ccccc1)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136102 JG Annotated Bother CC(=O)NCCNC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136124 JG Annotated Bother CC(=O)NCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082136178 JG Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccco3)n2)CC1 ZINC000082142000 JG Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccco2)C[C@H]2C[C@@H]1C2(C)C ZINC000082142006 JG Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccco2)C[C@H]2C[C@@H]1C2(C)C ZINC000082142009 JG Annotated Anodyne COc1cc(-c2nc(NCC3CC3)ncc2C(=O)N(CCC#N)CCC#N)cc(OC)c1OC ZINC000082143622 JG Annotated Mild COc1cc(-c2nc(N3CCCC3)ncc2C(=O)N(CCC#N)CCC#N)cc(OC)c1OC ZINC000082143743 JG Annotated Mild COc1cc(-c2nc(N3CCCCC3)ncc2C(=O)N(CCC#N)CCC#N)cc(OC)c1OC ZINC000082143748 JG Annotated Mild COc1cc(-c2nc(N3CCOCC3)ncc2C(=O)N(C)C2CCCCC2)cc(OC)c1OC ZINC000082143855 JG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3cccc(C)c3)n2)CC1 ZINC000082146563 JG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082148041 JG Annotated Bother NC(=O)[C@H]1CCCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148127 JG Annotated Bother NC(=O)[C@@H]1CCCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148134 JG Annotated Bother C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148227 JG Annotated Bother C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148230 JG Annotated Bother C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148233 JG Annotated Bother C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148237 JG Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(NCCCOC)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148527 JG Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148709 JG Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148713 JG Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148715 JG Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148717 JG Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082148790 JG Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148792 JG Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148811 JG Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148814 JG Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148816 JG Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148818 JG Annotated Bother CN(C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000082148914 JG Annotated Bother CN(C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000082148917 JG Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149212 JG Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149216 JG Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149219 JG Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149224 JG Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149328 JG Annotated Bother O=C(Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000082149352 JG Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149705 JG Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149871 JG Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082150240 JG Annotated Bother CC(=O)NCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082150254 JG Annotated Bother CCOC(=O)c1cn(CC)c2ccc(C#CCN3CCN(C(=O)OC(C)(C)C)CC3)cc2c1=O ZINC000082150565 JG Annotated Mild COc1ccc(/C=c2\s/c(=C(/C#N)C(=O)Nc3ccc(C)cc3)n(-c3ccccc3)c2=O)cc1 ZINC000082152155 JG Annotated Mild CN1CCC2(CC1)C(=O)Nc1ccc(-c3cnc4nnn(Cc5ccc6ncccc6c5)c4n3)cc12 ZINC000082153355 JG Annotated Anodyne CN1CCC2(CC1)C(=O)Nc1ccc(-c3ncc4nnn(Cc5ccc6ncccc6c5)c4n3)cc12 ZINC000082153365 JG Annotated Anodyne O=C(COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000082153601 JG Annotated Bother O=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccc(CCCN3CCOCC3)cc2)C=C1 ZINC000082153784 JG Annotated Mild CN(CCc1ccccc1)C(=O)[C@H]1CNCC(=O)N1c1ccc(COC(=O)c2ccccc2)cc1 ZINC000082155301 JG Annotated Anodyne CCO[P@](=O)(O)[C@H](NCCN[C@@H](c1ccccc1O)[P@@](=O)(O)OCC)c1ccccc1O ZINC000082156302 JG Annotated Clean CCO[P@](=O)(O)[C@@H](NCCN[C@@H](c1ccccc1O)[P@@](=O)(O)OCC)c1ccccc1O ZINC000082156307 JG Annotated Clean CN(Cc1ccccc1)C(=O)[C@H]1CNCC(=O)N1c1ccc(COC(=O)c2ccccc2)cc1 ZINC000082156335 JG Annotated Anodyne CN(CC(=O)OC(C)(C)C)CC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 ZINC000082157529 JG Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(C#N)cc2)CC1 ZINC000082158697 JG Annotated Mild CC(=O)N1CCN(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc(C#N)cc2)CC1 ZINC000082158837 JG Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000082159172 JG Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000082159174 JG Annotated Mild CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000082159469 JG Annotated Mild CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000082159470 JG Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc(C#N)cc2)C1 ZINC000082159495 JG Annotated Mild CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc(C#N)cc2)C1 ZINC000082159496 JG Annotated Mild CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc(C#N)cc2)C1 ZINC000082159497 JG Annotated Mild CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc(C#N)cc2)C1 ZINC000082159498 JG Annotated Mild CC(=O)N1CCN(c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000082159612 JG Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N3CCOCC3)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082159716 JG Annotated Mild CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CC(C)C ZINC000082165219 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CC(C)C ZINC000082165222 JG Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000082165225 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000082165228 JG Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C(C)C ZINC000082165427 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C(C)C ZINC000082165428 JG Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C(C)C ZINC000082165430 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C(C)C ZINC000082165432 JG Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000082165533 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000082165535 JG Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082165537 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082165539 JG Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CC(C)C ZINC000082165784 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CC(C)C ZINC000082165786 JG Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CC(C)C ZINC000082165788 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CC(C)C ZINC000082165790 JG Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CC(C)C ZINC000082166024 JG Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CC(C)C ZINC000082166026 JG Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CC(C)C ZINC000082166028 JG Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CC(C)C ZINC000082166030 JG Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@H](C)C(=O)N2 ZINC000082166041 JG Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@@H](C)C(=O)N2 ZINC000082166042 JG Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@H](C)C(=O)N2 ZINC000082166044 JG Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@@H](C)C(=O)N2 ZINC000082166046 JG Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082166150 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082166152 JG Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082166154 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082166157 JG Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000082166197 JG Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000082166204 JG Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000082166207 JG Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@H](C)CC ZINC000082166524 JG Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082166526 JG Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000082166530 JG Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082166531 JG Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C(C)C ZINC000082166709 JG Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C(C)C ZINC000082166713 JG Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C(C)C ZINC000082166716 JG Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C(C)C ZINC000082166718 JG Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082166846 JG Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082166851 JG Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082166892 JG Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082166894 JG Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082166900 JG Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082166903 JG Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082166972 JG Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082166975 JG Annotated Anodyne COc1cc(-c2nc(N3CCN(C(C)=O)CC3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082166999 JG Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000082167062 JG Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000082167064 JG Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082167189 JG Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082167191 JG Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000082172661 JG Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000082172663 JG Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000082172665 JG Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000082172667 JG Annotated Anodyne C/N=C(\S)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000082172710 JG Annotated Mild C/N=C(\S)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000082172712 JG Annotated Mild CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082173515 JG Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082173517 JG Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000082173519 JG Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000082173521 JG Annotated Anodyne CC1(C)C[C@H](NCCCN2CCCC2=O)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000082174043 JG Annotated Anodyne CC1(C)C[C@@H](NCCCN2CCCC2=O)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000082174048 JG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NC)CC(C)(C)O2 ZINC000082174067 JG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NC)CC(C)(C)O2 ZINC000082174070 JG Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000082174213 JG Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000082174216 JG Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCC(C)C)ncnc3n2CCCN2CCCC2=O)cc1 ZINC000082177901 JG Annotated Anodyne COc1cc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCNC(C)=O)ccc1O ZINC000082179464 JG Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCNC(C)=O)cc1 ZINC000082179517 JG Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCCc4ccccc4)ncnc3n2CCNC(C)=O)cc1 ZINC000082179849 JG Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccccc4C)ncnc3n2CCNC(C)=O)cc1 ZINC000082180193 JG Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NC)CC1(CCCCC1)O2 ZINC000082180364 JG Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NC)CC1(CCCCC1)O2 ZINC000082180367 JG Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NC)CC1(CCCCC1)O2 ZINC000082180369 JG Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NC)CC1(CCCCC1)O2 ZINC000082180370 JG Annotated Anodyne COc1cc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCNC(C)=O)ccc1O ZINC000082180614 JG Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCNC(C)=O)cc1 ZINC000082180699 JG Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000082180716 JG Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000082180718 JG Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000082180721 JG Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000082180723 JG Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](NC[C@@H]2CCCO2)CC2(CCCCC2)O3)CC1 ZINC000082180799 JG Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](NC[C@@H]2CCCO2)CC2(CCCCC2)O3)CC1 ZINC000082180801 JG Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](NC[C@H]2CCCO2)CC2(CCCCC2)O3)CC1 ZINC000082180803 JG Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](NC[C@H]2CCCO2)CC2(CCCCC2)O3)CC1 ZINC000082180805 JG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000082181060 JG Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000082181063 JG Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000082181068 JG Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181185 JG Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181187 JG Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181189 JG Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181190 JG Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181198 JG Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181199 JG Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181202 JG Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181203 JG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181838 JG Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181839 JG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181840 JG Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181841 JG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NC)CC1(CCN(C(C)=O)CC1)O2 ZINC000082181950 JG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NC)CC1(CCN(C(C)=O)CC1)O2 ZINC000082181951 JG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(C)=O)CC1(CCN(C(C)=O)CC1)O2 ZINC000082181984 JG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(C)=O)CC1(CCN(C(C)=O)CC1)O2 ZINC000082181985 JG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(C)=O)CC1(CCN(C(C)=O)CC1)O2 ZINC000082182298 JG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(C)=O)CC1(CCN(C(C)=O)CC1)O2 ZINC000082182299 JG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(C)=O)CC1(CCN(C(C)=O)CC1)O2 ZINC000082182300 JG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(C)=O)CC1(CCN(C(C)=O)CC1)O2 ZINC000082182301 JG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC1(CCN(C(C)=O)CC1)O2 ZINC000082182404 JG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC1(CCN(C(C)=O)CC1)O2 ZINC000082182406 JG Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000082182511 JG Annotated Anodyne COc1cc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CCNC(C)=O)ccc1O ZINC000082187052 JG Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CCNC(C)=O)cc1 ZINC000082187176 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCCc1ccccc1F)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000082189778 JG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCCc1ccccc1F)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000082189780 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082190597 JG Annotated Anodyne NC(=O)CCNC(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2Cc1cccc(Cl)c1 ZINC000082190897 JG Annotated Anodyne NC(=O)CCNC(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2Cc1ccc(Cl)cc1 ZINC000082190922 JG Annotated Anodyne NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCc1cccc(F)c1 ZINC000082191023 JG Annotated Anodyne NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1 ZINC000082191081 JG Annotated Anodyne C[C@H](NC(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(Cl)c1)n2CCCO)C(N)=O ZINC000082191181 JG Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](CC(C)C)C(N)=O)ccc3n2CCCO)c(C)c1 ZINC000082191240 JG Annotated Anodyne C[C@H](NC(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2Cc1ccccc1Cl)C(N)=O ZINC000082191262 JG Annotated Anodyne CC(C)C[C@H](NC(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2C1CCCC1)C(N)=O ZINC000082191344 JG Annotated Anodyne CC(C)n1c(NC(=O)c2ccccc2)nc2cc(C(=O)NCc3cccc(C(N)=O)c3)ccc21 ZINC000082191497 JG Annotated Anodyne CC(C)Cn1c(NC(=O)c2ccccc2)nc2cc(C(=O)NCc3cccc(C(N)=O)c3)ccc21 ZINC000082191600 JG Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCCC#N)cc1OC ZINC000082192899 JG Annotated Mild COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCCC#N)cc1OC ZINC000082192902 JG Annotated Mild COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCCC#N)cc1OC ZINC000082192904 JG Annotated Mild COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCCC#N)cc1OC ZINC000082192909 JG Annotated Mild CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN2c2nc(-c3ccc(NC(C)=O)cc3)cs2)CC1 ZINC000082194247 JG Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000082194351 JG Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](O)CN1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000082194353 JG Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN2c2nc(-c3ccc(NC(C)=O)cc3)cs2)CC1 ZINC000082194816 JG Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@@H]2C[C@H](O)CN2c2nc(-c3cc4ccccc4o3)cs2)CC1 ZINC000082194972 JG Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2c2nc(-c3cc4ccccc4o3)cs2)CC1 ZINC000082194974 JG Annotated Anodyne COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1 ZINC000082195372 JG Annotated Bother CCOC(=O)N1CCC(NC(=O)[C@@H]2C[C@H](O)CN2c2nc(-c3ccc(Cl)s3)cs2)CC1 ZINC000082195843 JG Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2c2nc(-c3ccc(Cl)s3)cs2)CC1 ZINC000082195844 JG Annotated Anodyne COc1ccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(Cc3cccs3)nn4C)C2)cc1OC ZINC000082195974 JG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1cccs1)C3 ZINC000082196006 JG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccccc1OC)C3 ZINC000082196008 JG Annotated Anodyne COc1cc(OC)cc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(Cc3cccs3)nn4C)C2)c1 ZINC000082196035 JG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccc(OC)cc1)C3 ZINC000082196065 JG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)Cc1cccs1)C3 ZINC000082196066 JG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccccc1F)C3 ZINC000082196076 JG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccccc1C)C3 ZINC000082196135 JG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1cccc(C)c1)C3 ZINC000082196136 JG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccc(C)cc1)C3 ZINC000082196138 JG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)Cc1cccc(OC)c1)C3 ZINC000082196198 JG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1cccc(F)c1)C3 ZINC000082196202 JG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)C1CCCCC1)C3 ZINC000082196204 JG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccc(F)cc1F)C3 ZINC000082196251 JG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1c(F)cccc1F)C3 ZINC000082196253 JG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccc(F)cc1)C3 ZINC000082196255 JG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)CCc1ccccc1)C3 ZINC000082196260 JG Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)COc1ccccc1)C3 ZINC000082196279 JG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1cc(F)cc(F)c1)C3 ZINC000082196327 JG Annotated Anodyne CCOc1ccccc1C(=O)N1CCc2c(c(=O)[nH]c3c2c(CCCOC)nn3CC(F)(F)F)C1 ZINC000082196332 JG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1cccc(F)c1F)C3 ZINC000082196334 JG Annotated Anodyne CCOC(=O)CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196344 JG Annotated Anodyne CCOC(=O)CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196356 JG Annotated Anodyne O=C(Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccco1)CC3)NCc1ccccc1 ZINC000082196378 JG Annotated Anodyne O=C(Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccco1)CC3)NCc1ccco1 ZINC000082196414 JG Annotated Anodyne CC[C@@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccs1)CC3 ZINC000082196431 JG Annotated Anodyne CC[C@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccs1)CC3 ZINC000082196433 JG Annotated Anodyne O=C(Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCCC1)CC3)NCc1ccccc1 ZINC000082196468 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082196537 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082196538 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082196539 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082196540 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082196741 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082196742 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082196744 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082196746 JG Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196771 JG Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196772 JG Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196773 JG Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196774 JG Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196828 JG Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196829 JG Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196836 JG Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196837 JG Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OC ZINC000082196838 JG Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OC ZINC000082196839 JG Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OC ZINC000082196841 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OC ZINC000082196843 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082196851 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000082196852 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082196854 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000082196855 JG Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082196951 JG Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082196952 JG Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082196953 JG Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082196954 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082197046 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082197047 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082197048 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082197049 JG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082197112 JG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082197113 JG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082197114 JG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000082197115 JG Annotated Anodyne O=C(NCCO)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082197402 JG Annotated Anodyne O=C(NCCO)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082197403 JG Annotated Anodyne O=C(NCCO)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082197404 JG Annotated Anodyne O=C(NCCO)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082197405 JG Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082197894 JG Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082197895 JG Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082197896 JG Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082197897 JG Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082197902 JG Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082197903 JG Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082197904 JG Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000082197905 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082197922 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082197923 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082197924 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082197925 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082197998 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082197999 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082198000 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082198001 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)Cc2ccccc2OC)C1 ZINC000082198168 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)Cc2ccccc2OC)C1 ZINC000082198169 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)Cc2ccccc2OC)C1 ZINC000082198170 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)Cc2ccccc2OC)C1 ZINC000082198171 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000082198236 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000082198237 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000082198238 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000082198239 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198272 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198273 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198274 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198275 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198423 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198424 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198425 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198426 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198431 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198432 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198433 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198434 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082198596 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082198597 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082198598 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082198599 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082198604 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082198605 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082198606 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082198607 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082198632 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082198633 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082198634 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082198635 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082198640 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082198641 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082198642 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082198643 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082198692 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082198693 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082198694 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082198695 JG Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)c1cc(OC)ccc1OC ZINC000082198756 JG Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)c1cc(OC)ccc1OC ZINC000082198757 JG Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)c1cc(OC)ccc1OC ZINC000082198758 JG Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)c1cc(OC)ccc1OC ZINC000082198759 JG Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000082198968 JG Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000082198969 JG Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000082198970 JG Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000082198971 JG Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)CP(=O)(OCC)OCC ZINC000082199258 JG Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)CP(=O)(OCC)OCC ZINC000082199259 JG Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)CP(=O)(OCC)OCC ZINC000082199260 JG Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)CP(=O)(OCC)OCC ZINC000082199261 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199418 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199419 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199432 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199433 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199434 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199435 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199440 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199441 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199442 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199443 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082199460 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082199461 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082199462 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082199463 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082199568 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082199569 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082199570 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082199571 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199588 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199589 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199591 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199593 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082200353 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082200355 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082200358 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082200360 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)c2cnccn2)C1 ZINC000082200523 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)c2cnccn2)C1 ZINC000082200525 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)c2cnccn2)C1 ZINC000082200529 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)c2cnccn2)C1 ZINC000082200531 JG Annotated Anodyne O=C(Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCCC1)CC3)NCc1ccco1 ZINC000082200907 JG Annotated Anodyne CC[C@@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccccc1)CC3 ZINC000082200920 JG Annotated Anodyne CC[C@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccccc1)CC3 ZINC000082200924 JG Annotated Anodyne CC[C@@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCCC1)CC3 ZINC000082200930 JG Annotated Anodyne CC[C@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCCC1)CC3 ZINC000082200932 JG Annotated Anodyne CC(C)CC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NCc2ccccc2)C1 ZINC000082201148 JG Annotated Anodyne CCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NCc2ccccc2)C1 ZINC000082201156 JG Annotated Anodyne CCCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N[C@@H](CC)COC)C1 ZINC000082201172 JG Annotated Anodyne CCCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N[C@H](CC)COC)C1 ZINC000082201173 JG Annotated Anodyne CC[C@@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)CC(C)C)CC3 ZINC000082201229 JG Annotated Anodyne CC[C@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)CC(C)C)CC3 ZINC000082201231 JG Annotated Anodyne CCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@@H](C)CC)C1 ZINC000082201252 JG Annotated Anodyne CCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@H](C)CC)C1 ZINC000082201253 JG Annotated Anodyne CC(C)(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NCc2ccccc2)C1 ZINC000082201317 JG Annotated Anodyne CC(C)=CC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NCc2ccccc2)C1 ZINC000082201320 JG Annotated Anodyne CC(C)(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3CC(=O)NCc2ccco2)C1 ZINC000082201391 JG Annotated Anodyne CC(C)=CC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3CC(=O)NCc2ccco2)C1 ZINC000082201392 JG Annotated Anodyne CC[C@@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C(C)(C)C)CC3 ZINC000082201419 JG Annotated Anodyne CC[C@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C(C)(C)C)CC3 ZINC000082201421 JG Annotated Anodyne C=CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NCc2ccccc2)C1 ZINC000082201495 JG Annotated Mild CCC[C@@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@@H](C)CC)C1 ZINC000082201569 JG Annotated Anodyne CCC[C@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@@H](C)CC)C1 ZINC000082201571 JG Annotated Anodyne CCC[C@@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@H](C)CC)C1 ZINC000082201573 JG Annotated Anodyne CCC[C@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@H](C)CC)C1 ZINC000082201574 JG Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)CCN3)cc1 ZINC000082204586 JG Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccc(F)cc1)CCN2 ZINC000082204733 JG Annotated Anodyne O=C1CCCN1CCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204913 JG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204924 JG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204925 JG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccoc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204927 JG Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccsc1)C[C@H](Cc1ccccc1)N2 ZINC000082204956 JG Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccncc1)C[C@H](Cc1ccccc1)N2 ZINC000082205080 JG Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)C[C@H](Cc2ccccc2)N3)c1 ZINC000082205082 JG Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205169 JG Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)C[C@H](Cc1ccccc1)N2)c1ccccc1 ZINC000082205332 JG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205380 JG Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)C[C@H](Cc1ccccc1)N2)c1ccccc1 ZINC000082205425 JG Annotated Anodyne O=C(CCc1cccnc1)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205433 JG Annotated Anodyne O=C(Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)C[C@H](Cc1ccccc1)N2)c1ccncc1 ZINC000082205459 JG Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082205547 JG Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205586 JG Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](Cc1ccccc1)N2)c1ccco1 ZINC000082205632 JG Annotated Anodyne O=C(CCc1cccnc1)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205638 JG Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@@H]2CCCC[C@H]2N3)c1 ZINC000082205914 JG Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205936 JG Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCOC)c2=O)C[C@H](CC2CCCCC2)N3)cc1 ZINC000082205948 JG Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206493 JG Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206496 JG Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@@H](C(C)C)N3)cc1 ZINC000082206616 JG Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@H](C(C)C)N3)cc1 ZINC000082206618 JG Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](C(C)C)N2 ZINC000082206657 JG Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@@H](C(C)C)N2 ZINC000082206659 JG Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206670 JG Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206671 JG Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](C(C)C)N2 ZINC000082206856 JG Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@@H](C(C)C)N2 ZINC000082206859 JG Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206867 JG Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206869 JG Annotated Anodyne C[C@@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206922 JG Annotated Anodyne C[C@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206924 JG Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@@H](C)N3)cc1 ZINC000082206936 JG Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@H](C)N3)cc1 ZINC000082206938 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207470 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207472 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207475 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082207477 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082207820 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082207824 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082207827 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082207828 JG Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207890 JG Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207893 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082207899 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082207904 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082207907 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082207913 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082207938 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082207941 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082207943 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082207945 JG Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)ccc1OC ZINC000082208045 JG Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)ccc1OC ZINC000082208049 JG Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)ccc1OC ZINC000082208054 JG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cc(OC)ccc1OC ZINC000082208057 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](CO)CC(C)C)c1 ZINC000082208076 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](CO)CC(C)C)c1 ZINC000082208081 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](CO)CC(C)C)c1 ZINC000082208085 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](CO)CC(C)C)c1 ZINC000082208086 JG Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082208099 JG Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082208101 JG Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082208384 JG Annotated Anodyne O=C1CCCN1CCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208555 JG Annotated Anodyne O=C1CCCN1CCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208560 JG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208579 JG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208582 JG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208588 JG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208590 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082208957 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082208959 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082208960 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082208963 JG Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082209045 JG Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082209048 JG Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)CO)cc1OC ZINC000082209354 JG Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)CO)cc1OC ZINC000082209360 JG Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)CO)cc1OC ZINC000082209363 JG Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@H](c2ccccc2)CN3)c1 ZINC000082209407 JG Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@@H](c2ccccc2)CN3)c1 ZINC000082209410 JG Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082209460 JG Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209648 JG Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209651 JG Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](CC1CCCCC1)N2)c1ccccc1 ZINC000082209778 JG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210061 JG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210064 JG Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000082210353 JG Annotated Mild COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000082210355 JG Annotated Mild COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000082210358 JG Annotated Mild COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000082210361 JG Annotated Mild O=C(NCCO)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082210365 JG Annotated Anodyne O=C(NCCO)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082210368 JG Annotated Anodyne O=C(NCCO)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082210370 JG Annotated Anodyne O=C(NCCO)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082210371 JG Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210594 JG Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210596 JG Annotated Anodyne O=C(CCc1cccnc1)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210679 JG Annotated Anodyne O=C(CCc1cccnc1)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210683 JG Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082211087 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000082211918 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000082211921 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000082211924 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000082211926 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082212203 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082212207 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082212210 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082212212 JG Annotated Anodyne C[C@@H]1CNc2c(NC(=O)CCc3cccnc3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082212314 JG Annotated Anodyne C[C@H]1CNc2c(NC(=O)CCc3cccnc3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082212316 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082212412 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082212414 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082212416 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082212421 JG Annotated Anodyne C[C@@H]1CNc2c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212600 JG Annotated Anodyne C[C@H]1CNc2c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212603 JG Annotated Anodyne O=C(CCc1cccnc1)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082213067 JG Annotated Anodyne O=C(CCc1cccnc1)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082213068 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)CO)c1 ZINC000082213213 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)CO)c1 ZINC000082213214 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)CO)c1 ZINC000082213215 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082213255 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)CO ZINC000082213256 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082213257 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000082213258 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082213286 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)CO ZINC000082213287 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082213288 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000082213289 JG Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000082213618 JG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000082213619 JG Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000082213620 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)[C@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000082213782 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)[C@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000082213783 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)[C@@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000082213784 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)[C@@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000082213785 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCO)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082214147 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCO)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082214148 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCO)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082214149 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCO)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082214150 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCC#N ZINC000082214183 JG Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCC#N ZINC000082214184 JG Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCC#N ZINC000082214185 JG Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCC#N ZINC000082214186 JG Annotated Mild C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000082214388 JG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000082214389 JG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000082214390 JG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000082214391 JG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000082214392 JG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000082214393 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3cnccn3)C2)c1 ZINC000082214461 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3cnccn3)C2)c1 ZINC000082214462 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3cccnc3SC)C2)c1 ZINC000082214465 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3cccnc3SC)C2)c1 ZINC000082214466 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3cccnc3SC)C2)c1 ZINC000082214467 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3cccnc3SC)C2)c1 ZINC000082214468 JG Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082214764 JG Annotated Bother C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082214766 JG Annotated Bother C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082214768 JG Annotated Bother C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082214770 JG Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082214844 JG Annotated Bother CN(C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000082214849 JG Annotated Bother CN(C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000082214850 JG Annotated Bother NC(=O)[C@H]1CCCN(c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccco3)n2)C1 ZINC000082216458 JG Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccco3)n2)C1 ZINC000082216460 JG Annotated Anodyne COc1cc(-c2nc(N3CCOCC3)ncc2C(=O)NCC2CCCCC2)cc(OC)c1OC ZINC000082216624 JG Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082216879 JG Annotated Bother CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082216881 JG Annotated Bother COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCCCSC)c1 ZINC000082218326 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCCCSC)c1 ZINC000082218327 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCCCSC)c1 ZINC000082218330 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCCCSC)c1 ZINC000082218332 JG Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082218490 JG Annotated Anodyne C[C@@H](O)CNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082218493 JG Annotated Anodyne C[C@@H](O)CNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082218497 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCCSC ZINC000082218590 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCCSC ZINC000082218592 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCCSC ZINC000082218594 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCCSC ZINC000082218595 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082218832 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082218834 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082218836 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082218838 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082219038 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082219041 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082219042 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082219045 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082219196 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082219199 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082219201 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082219203 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082219394 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082219397 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082219401 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082219406 JG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000082219715 JG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000082219718 JG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000082219720 JG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000082219722 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082219769 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082219772 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082219775 JG Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082219778 JG Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@H](C)O)cc1OC ZINC000082220268 JG Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@H](C)O)cc1OC ZINC000082220271 JG Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@@H](C)O)cc1OC ZINC000082220272 JG Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)CN(C)C(=O)c1ccccc1 ZINC000082220386 JG Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)CN(C)C(=O)c1ccccc1 ZINC000082220388 JG Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)CN(C)C(=O)c1ccccc1 ZINC000082220390 JG Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)CN(C)C(=O)c1ccccc1 ZINC000082220393 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082220396 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082220400 JG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082220401 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NC[C@H](C)O)c1 ZINC000082220443 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NC[C@@H](C)O)c1 ZINC000082220444 JG Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NC[C@H](C)O)c1 ZINC000082220446 JG Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 ZINC000082220477 JG Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 ZINC000082220478 JG Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 ZINC000082220482 JG Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 ZINC000082220484 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@H](C)O ZINC000082220496 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082220498 JG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082220502 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@H](C)O ZINC000082220617 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082220620 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000082220624 JG Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082220627 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)c3cnccn3)C2)c1 ZINC000082220688 JG Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)c3cnccn3)C2)c1 ZINC000082220694 JG Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)c3cnccn3)C2)c1 ZINC000082220696 JG Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCNC(C)=O)cc1 ZINC000082222732 JG Annotated Anodyne CC(C)CC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3CC(=O)NCc2ccco2)C1 ZINC000082222894 JG Annotated Anodyne CCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3CC(=O)NCc2ccco2)C1 ZINC000082222898 JG Annotated Anodyne C=CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3CC(=O)NCc2ccco2)C1 ZINC000082222915 JG Annotated Mild CC[C@@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)CC(C)(C)C)CC3 ZINC000082222916 JG Annotated Anodyne CC[C@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)CC(C)(C)C)CC3 ZINC000082222917 JG Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@@H](C(C)C)N3)cc1 ZINC000082224297 JG Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@H](C(C)C)N3)cc1 ZINC000082224299 JG Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082224335 JG Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccccc4)c2=O)[C@H](c2ccccc2)CN3)c1 ZINC000082224354 JG Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccccc4)c2=O)[C@@H](c2ccccc2)CN3)c1 ZINC000082224357 JG Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccccc4)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082224367 JG Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccccc4)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082224370 JG Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](c1ccccc1)CN2)c1ccccc1 ZINC000082224520 JG Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccccc1)C[C@H](Cc1ccccc1)N2 ZINC000082227943 JG Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](c1ccccc1)CN2)c1ccccc1 ZINC000082228030 JG Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000082230904 JG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000082230905 JG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1coc2ccccc2c1=O ZINC000082230906 JG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1coc2ccccc2c1=O ZINC000082230907 JG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000082230994 JG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000082230995 JG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000082230996 JG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000082230997 JG Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000082231144 JG Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000082231145 JG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000082231223 JG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000082231224 JG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000082231225 JG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000082231226 JG Annotated Mild O=C(NCCCCc1nc2nc(N3CCC[C@H](O)C3)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000082231340 JG Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@@H](O)C3)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000082231341 JG Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@@H]3CO)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000082231451 JG Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@H]3CO)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000082231452 JG Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2[nH]c1=O ZINC000082231533 JG Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCOCC3)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000082231575 JG Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@H](CO)C3)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000082231578 JG Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@@H](CO)C3)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000082231579 JG Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC(O)CC3)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000082231580 JG Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCCC[C@@H]3CCO)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231585 JG Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCCC[C@H]3CCO)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231586 JG Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CC(C)C ZINC000082235295 JG Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CC(C)C ZINC000082235296 JG Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CC(C)C ZINC000082235297 JG Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CC(C)C ZINC000082235298 JG Annotated Anodyne CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235453 JG Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235454 JG Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235455 JG Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235456 JG Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082235465 JG Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082235466 JG Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082235467 JG Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082235468 JG Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CC(C)C ZINC000082235811 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CC(C)C ZINC000082235812 JG Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000082235813 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000082235814 JG Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CC(C)C ZINC000082235938 JG Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CC(C)C ZINC000082235939 JG Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000082235940 JG Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000082235941 JG Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](C)N([C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082235946 JG Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](C)N([C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082235947 JG Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](C)N([C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082235948 JG Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](C)N([C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082235949 JG Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000082236006 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000082236007 JG Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082236008 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082236009 JG Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000082236021 JG Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000082236022 JG Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000082236023 JG Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@H](C)CC ZINC000082236097 JG Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000082236098 JG Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@H](C)CC ZINC000082236099 JG Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082236100 JG Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C(C)C ZINC000082236151 JG Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C(C)C ZINC000082236152 JG Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C(C)C ZINC000082236153 JG Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C(C)C ZINC000082236154 JG Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C ZINC000082236195 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C ZINC000082236196 JG Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C ZINC000082236197 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C ZINC000082236198 JG Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CC(C)C ZINC000082236348 JG Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CC(C)C ZINC000082236349 JG Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CC(C)C ZINC000082236350 JG Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CC(C)C ZINC000082236351 JG Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C ZINC000082236372 JG Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C ZINC000082236373 JG Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C ZINC000082236374 JG Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C ZINC000082236375 JG Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082236414 JG Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082236415 JG Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082236416 JG Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082236417 JG Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cc3ccccc3cc2C1=O ZINC000082236420 JG Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cc3ccccc3cc2C1=O ZINC000082236421 JG Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C(C)C ZINC000082236423 JG Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C(C)C ZINC000082236424 JG Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C(C)C ZINC000082236425 JG Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C(C)C ZINC000082236426 JG Annotated Mild CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082236440 JG Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082236441 JG Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082236442 JG Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082236443 JG Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cc3ccccc3cc2C1=O ZINC000082236467 JG Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cc3ccccc3cc2C1=O ZINC000082236468 JG Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C(C)C ZINC000082236491 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C(C)C ZINC000082236492 JG Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C(C)C ZINC000082236493 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C(C)C ZINC000082236494 JG Annotated Anodyne CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C ZINC000082236545 JG Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C ZINC000082236546 JG Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C ZINC000082236547 JG Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C ZINC000082236548 JG Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CC(C)C ZINC000082236601 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CC(C)C ZINC000082236602 JG Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CC(C)C ZINC000082236603 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CC(C)C ZINC000082236604 JG Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C(C)C ZINC000082236711 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C(C)C ZINC000082236712 JG Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C(C)C ZINC000082236713 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C(C)C ZINC000082236714 JG Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082236731 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082236732 JG Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082236733 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082236734 JG Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082236739 JG Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082236740 JG Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082236741 JG Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082236742 JG Annotated Anodyne C[C@@H](C[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O)CC(C)(C)C ZINC000082236759 JG Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O)CC(C)(C)C ZINC000082236760 JG Annotated Anodyne C[C@@H](C[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O)CC(C)(C)C ZINC000082236761 JG Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O)CC(C)(C)C ZINC000082236762 JG Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C(C)C ZINC000082236790 JG Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C(C)C ZINC000082236791 JG Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C(C)C ZINC000082236792 JG Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C(C)C ZINC000082236793 JG Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CC(C)C ZINC000082236890 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CC(C)C ZINC000082236891 JG Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CC(C)C ZINC000082236892 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CC(C)C ZINC000082236893 JG Annotated Anodyne CC(C)C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CC(C)C ZINC000082236897 JG Annotated Anodyne CC(C)C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CC(C)C ZINC000082236898 JG Annotated Anodyne CC(C)C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CC(C)C ZINC000082236899 JG Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082236900 JG Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C(C)C ZINC000082237012 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C(C)C ZINC000082237013 JG Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C(C)C ZINC000082237014 JG Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C(C)C ZINC000082237015 JG Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082237041 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082237042 JG Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082237043 JG Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082237044 JG Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082237049 JG Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082237050 JG Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082237051 JG Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082237052 JG Annotated Anodyne C[C@@H](C[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O)CC(C)(C)C ZINC000082237069 JG Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O)CC(C)(C)C ZINC000082237070 JG Annotated Anodyne C[C@@H](C[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O)CC(C)(C)C ZINC000082237071 JG Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O)CC(C)(C)C ZINC000082237072 JG Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C(C)C ZINC000082237104 JG Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C(C)C ZINC000082237105 JG Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C(C)C ZINC000082237106 JG Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C(C)C ZINC000082237107 JG Annotated Anodyne CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C ZINC000082237152 JG Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C ZINC000082237153 JG Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C ZINC000082237154 JG Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C ZINC000082237155 JG Annotated Anodyne CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cc3ccccc3cc2C1=O ZINC000082237177 JG Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cc3ccccc3cc2C1=O ZINC000082237178 JG Annotated Anodyne CC(C)C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CC(C)C ZINC000082237192 JG Annotated Anodyne CC(C)C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CC(C)C ZINC000082237193 JG Annotated Anodyne CC(C)C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CC(C)C ZINC000082237194 JG Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082237195 JG Annotated Anodyne CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000082237210 JG Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000082237211 JG Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000082237212 JG Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000082237213 JG Annotated Anodyne C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1CCCN1[C@H]2c1coc(-c2ccc(Cl)s2)n1 ZINC000082874039 JG Annotated Bother CO[C@H]1/C=C/CC/C=C/C(=O)O[C@@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)/C(C)=C\[C@@H](C)[C@@H]1O ZINC000083921168 JG Annotated Anodyne in-vitro C[C@H]1O[C@@H](c2ccc3c(c2O)C(=O)c2ccc4c(c2C3=O)C(=O)C[C@@](C)(O)C4)CC[C@H]1N(C)C ZINC000083924557 JG Annotated Clean in-vitro C[C@@H]1O[C@@H](c2ccc3c(c2O)C(=O)c2ccc4c(c2C3=O)C(=O)C[C@@](C)(O)C4)CC[C@H]1N(C)C ZINC000083924560 JG Annotated Clean in-vitro CN(C)CCNC(=O)c1ccc2c3c1nc1ccc([N+](=O)[O-])cc1c3[nH]n2CCN1CCCCC1 ZINC000084410026 JG Annotated Bother CCOC(=O)C1=C(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)Nc2ccccc2N=C1CC ZINC000084459831 JG Annotated Anodyne CCOC(=O)C1=C(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)Nc2ccccc2N=C1CC ZINC000084459832 JG Annotated Anodyne Cc1noc2c(Cc3ccc([N+](=O)[O-])cc3)nn(Cc3n[nH]c(=S)n3-c3ccccc3)c(=O)c12 ZINC000084586941 JG Annotated Bother O=S(=O)(c1ccc(-n2ccnn2)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1 ZINC000084595486 JG Annotated Anodyne CSc1nn2c(=O)cc(N3CCO[C@H](C)C3)nc2n1Cc1cccc(C(F)(F)F)c1C ZINC000084596082 JG Annotated Anodyne CSc1nn2c(=O)cc(N3CCO[C@@H](C)C3)nc2n1Cc1cccc(C(F)(F)F)c1C ZINC000084596084 JG Annotated Anodyne COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)COc2ccc3[nH]ccc3c2)cc1OC ZINC000084596202 JG Annotated Anodyne COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)COc2ccc3c(ccn3C)c2)cc1OC ZINC000084596204 JG Annotated Anodyne O=S1(=O)N=C(O)c2ccc(NC(=S)Nc3cccc(I)c3)cc21 ZINC000084596760 JG Annotated Anodyne COc1ccc(CS(=O)(=O)/C=C/c2c(OC)cc(OCCCC(=O)O)cc2OC)cc1N ZINC000084597133 JG Annotated Anodyne COC(=O)CCNc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC ZINC000084597148 JG Annotated Anodyne CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)[C@H](Cl)[C@H](O)c1ccccc1 ZINC000084603205 JG Annotated Reactive CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)[C@@H](Cl)[C@H](O)c1ccccc1 ZINC000084603207 JG Annotated Reactive CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)[C@H](Cl)[C@@H](O)c1ccccc1 ZINC000084603209 JG Annotated Reactive CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)[C@@H](Cl)[C@@H](O)c1ccccc1 ZINC000084603211 JG Annotated Reactive CCN(CC)c1ccc(C2=NC(P(=O)(O)O)(P(=O)(O)O)C(=S)c3ccccc32)cc1 ZINC000084603808 JG Annotated Clean CN(O)C(=O)CCCP(=O)(OCOC(=O)c1ccccc1)OCOC(=O)c1ccccc1 ZINC000084604614 JG Annotated Anodyne Cc1nccn1-c1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(S(N)(=O)=O)cc2)s1 ZINC000084604890 JG Annotated Clean CC(=O)N1CCN(c2nc(NC[C@@H](C)c3ccc(Cl)cc3)c3c(n2)C(=O)N(C(C)C)C3)CC1 ZINC000084605331 JG Annotated Anodyne CC(=O)N1CCN(c2nc(NC[C@H](C)c3ccc(Cl)cc3)c3c(n2)C(=O)N(C(C)C)C3)CC1 ZINC000084605333 JG Annotated Anodyne COC(=O)[C@H](C)Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC ZINC000084615412 JG Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NC(F)(F)C(=O)O)c2)c(OC)c1 ZINC000084615459 JG Annotated Anodyne Nc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3cc(-c4cccc(=O)[nH]4)ccc32)ccn1 ZINC000084616156 JG Annotated Anodyne C=C1C(=O)[C@@]23C(=O)OC[C@]4(C(=O)CCC(C)(C)[C@H]4C=O)[C@@H]2CC[C@@H]1[C@H]3OC(=O)c1ccc(C)cc1 ZINC000084616234 JG Annotated Mild C=C1C(=O)[C@@]23C(=O)OC[C@]4(C(=O)CCC(C)(C)[C@H]4C=O)[C@@H]2CC[C@@H]1[C@H]3OC(=O)c1ccc(OC)cc1 ZINC000084616235 JG Annotated Mild C=C1C(=O)[C@@]23C(=O)OC[C@]4(C(=O)CCC(C)(C)[C@H]4C=O)[C@@H]2CC[C@@H]1[C@H]3OC(=O)c1ccccc1 ZINC000084618402 JG Annotated Mild Brc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 ZINC000084618461 JG Annotated Anodyne CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCc3nccs3)ncnc12 ZINC000084633755 JG Annotated Anodyne CN(CCO)C(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2 ZINC000084633847 JG Annotated Anodyne CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NCCCO ZINC000084633849 JG Annotated Anodyne CN(C)CCNC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2 ZINC000084634267 JG Annotated Anodyne C=C1C(=O)[C@@]23C(=O)OC[C@]4(C(=O)CCC(C)(C)[C@H]4C=O)[C@@H]2CC[C@@H]1[C@H]3OC(=O)c1ccc(F)cc1 ZINC000084635231 JG Annotated Mild C=C1C(=O)[C@@]23C(=O)OC[C@]4(C(=O)CCC(C)(C)[C@H]4C=O)[C@@H]2CC[C@@H]1[C@H]3OC(=O)c1ccccc1F ZINC000084635233 JG Annotated Mild CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(-c4ccsc4)[nH]c23)cc1 ZINC000084651898 JG Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(N4CCCC4)nn3c2)c1F ZINC000084651939 JG Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)C2=CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000084652227 JG Annotated Mild CC1(C)C[C@H](NC(=O)C2=NS(=O)(=O)c3ccccc3N2)c2cc(Br)ccc2O1 ZINC000084652383 JG Annotated Anodyne CC1(C)C[C@@H](NC(=O)C2=NS(=O)(=O)c3ccccc3N2)c2cc(Br)ccc2O1 ZINC000084652384 JG Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@]5(C=O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000084652576 JG Annotated Mild CNC(=O)c1cc(Cl)cc(C)c1NC(=O)[C@@H]1CC(c2cc(OC)c(OC)c(OC)c2)=NO1 ZINC000084652710 JG Annotated Anodyne CNC(=O)c1cc(Cl)cc(C)c1NC(=O)[C@H]1CC(c2cc(OC)c(OC)c(OC)c2)=NO1 ZINC000084652711 JG Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(C(F)(F)F)nn3c2)c1F ZINC000084652941 JG Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(NC(C)C)nn3c2)c1F ZINC000084652943 JG Annotated Anodyne C=CCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1N1C(=O)c2ccccc2C1=O ZINC000084653176 JG Annotated Mild COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-n4nccn4)cc2Cl)C3)cc1 ZINC000084653388 JG Annotated Anodyne O=[S@@]1[C@H]2C[C@H](S(=O)(=O)Oc3ccc(O)cc3)[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000084653418 JG Annotated Anodyne O=[S@]1[C@H]2C[C@H](S(=O)(=O)Oc3ccc(O)cc3)[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000084653419 JG Annotated Anodyne Cc1ccc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)(C)C)cn1 ZINC000084653896 JG Annotated Anodyne COC1=C[C@]23C(=CC1=O)CCN(C(=O)C(F)(F)F)[C@@H]2CCc1cc(OC)c(OC)c(OC)c13 ZINC000084654118 JG Annotated Mild COC1=C[C@]23C(=CC1=O)CCN(C(=O)C(F)(F)F)[C@H]2CCc1cc(OC)c(OC)c(OC)c13 ZINC000084654119 JG Annotated Mild CC(C)(C)OC(=O)N1O[C@H]2CC[C@@H]1C21CCN(c2ccc(N3C[C@H](CN)OC3=O)cc2F)CC1 ZINC000084668480 JG Annotated Anodyne CC(C)(C)OC(=O)N1O[C@@H]2CC[C@H]1C21CCN(c2ccc(N3C[C@H](CN)OC3=O)cc2F)CC1 ZINC000084668481 JG Annotated Anodyne CCN1C(=O)[C@@]2(CCCN(C3CCN(C(=O)c4c(NC(N)=O)sc5ccccc45)CC3)C2)N=C1C ZINC000084668999 JG Annotated Anodyne CCN1C(=O)[C@]2(CCCN(C3CCN(C(=O)c4c(NC(N)=O)sc5ccccc45)CC3)C2)N=C1C ZINC000084669000 JG Annotated Anodyne CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(N2CCC[C@]3(CCNC3=O)C2)CC1 ZINC000084669019 JG Annotated Anodyne CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(N2CCC[C@@]3(CCNC3=O)C2)CC1 ZINC000084669020 JG Annotated Anodyne Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)CCCF)c3F)cccc12 ZINC000084669113 JG Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](C[C@@H](OC(C)=O)[C@@]52COC(C)=O)[C@H]63)CC[C@@H]41 ZINC000084669260 JG Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)c4c(F)c(F)c(F)c(F)c4C3=O)cc2)n1 ZINC000084669387 JG Annotated Anodyne Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)CCCF)c3F)csc12 ZINC000084669769 JG Annotated Anodyne CC(C)(C)OC(=O)N1O[C@H]2CC[C@@H]1C21CCN(c2ccc(N3C[C@H](CO)OC3=O)cc2F)CC1 ZINC000084669981 JG Annotated Anodyne CC(C)(C)OC(=O)N1O[C@@H]2CC[C@H]1C21CCN(c2ccc(N3C[C@H](CO)OC3=O)cc2F)CC1 ZINC000084669982 JG Annotated Anodyne O=C(Nc1ccc(N2CCOCC2=O)cc1)[C@@H]1CC=CCN1C(=O)Cc1ccc(Cl)cc1 ZINC000084670080 JG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2C(c3ccc(O)c(C)c3)=C(c3ccc(O)c(C)c3)[C@@H]([C@H]1C(=O)OCC)S2=O ZINC000084670145 JG Annotated Anodyne COC(=O)C[N+]1(C)CCc2c(cc3c(c2C(=O)/C=C/c2cc(OC)ccc2OC)OCO3)C1 ZINC000084670172 JG Annotated Mild O=[N+]([O-])c1ccc(/C(Cn2cncn2)=N\Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000084670914 JG Annotated Mild COC1=C[C@@]23CCN(C(=O)C(F)(F)F)[C@@H](CCc4cc(OC)c(OC)c(OC)c42)C3=CC1=O ZINC000084671246 JG Annotated Mild CCOc1cc(/C=N/NC(=O)[C@H](OC)c2ccc3c(c2)OCCO3)cc(Br)c1OC ZINC000084672141 JG Annotated Reactive CCOc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc3c(c2)OCCO3)cc(Br)c1OC ZINC000084672142 JG Annotated Reactive COc1cnc(-c2cccc3c2C[C@@H](NC(=O)c2ccc(COCC(F)(F)F)nc2)CO3)cn1 ZINC000084672261 JG Annotated Anodyne O=C(O)c1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000084687113 JG Annotated Bother COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc(-n3ccnc3)cc2)cc(OC)c1Br ZINC000084687701 JG Annotated Reactive COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc(-n3ccnc3)cc2)cc(OC)c1Br ZINC000084687702 JG Annotated Reactive CCNC(=O)c1cc2c(-n3ccc(C(F)(F)F)n3)c(-c3cncc(-c4nnc(O)o4)c3)cnc2[nH]1 ZINC000084687920 JG Annotated Anodyne COc1ncc(-c2cccc3c2C[C@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)CO3)cn1 ZINC000084689100 JG Annotated Anodyne CC(C)n1c(=O)c2ccccc2n1Cc1cn(-c2ccc3nc(N4CCOCC4)sc3c2)nn1 ZINC000084689709 JG Annotated Anodyne COc1ccc(-c2ccc(Nc3cccc(S(=O)(=O)CCNCc4nccn4C)c3)nc2)cn1 ZINC000084690014 JG Annotated Anodyne Cc1sc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)CC2)nc1C(F)(F)F ZINC000084690195 JG Annotated Mild N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc(C(F)(F)F)c(Cl)s3)CC2)CC1 ZINC000084690196 JG Annotated Mild O=C1c2cccc(O)c2C(=O)c2c1ccc(C1(O)c3cccc(O)c3C(=O)c3c(O)cccc31)c2O ZINC000084690336 JG Annotated Clean NS(=O)(=O)c1cc(S(=O)(=O)O)c(NCc2ccco2)cc1Nc1ccccc1Cl ZINC000084690869 JG Annotated Anodyne NC(=O)[C@@H](CCC(F)(F)F)N(CC12CC(c3ncon3)(C1)C2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000084703628 JG Annotated Anodyne COCON1C(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)[C@@H]([C@H](O)c2ccc(OC)cc2)C1=O ZINC000084705493 JG Annotated Anodyne COCON1C(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)[C@@H]([C@H](O)c2ccc(F)cc2)C1=O ZINC000084706714 JG Annotated Anodyne Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N(C)Cc4ccc(CNS(C)(=O)=O)cc4)cc23)c1 ZINC000084706874 JG Annotated Anodyne CCN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]12C(=O)N(CC(=O)O)c1ccc(Cl)cc12 ZINC000084708197 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(Sc2ccc(F)cc2CSC(=N)N)c(CSC(=N)N)c1 ZINC000084709776 JG Annotated Anodyne CC1(C)C[C@H](NC(=O)C2=NS(=O)(=O)c3cc(Cl)ccc3N2)c2cc([N+](=O)[O-])ccc2O1 ZINC000084710977 JG Annotated Bother CC1(C)C[C@@H](NC(=O)C2=NS(=O)(=O)c3cc(Cl)ccc3N2)c2cc([N+](=O)[O-])ccc2O1 ZINC000084710979 JG Annotated Bother CN1C(=O)N(Cc2csc(-c3ccccc3)n2)C(=O)[C@]12C(=O)N(CC(=O)O)c1ccc(Cl)cc12 ZINC000084711048 JG Annotated Anodyne CN1C(=O)N(Cc2csc(-c3ccccc3)n2)C(=O)[C@@]12C(=O)N(CC(=O)O)c1ccc(Cl)cc12 ZINC000084711050 JG Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2)Nn2c(nnc2-c2cc(OC)c(OC)c(OC)c2)S1 ZINC000084713385 JG Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2)Nn2c(nnc2-c2cc(OC)c(OC)c(OC)c2)S1 ZINC000084713387 JG Annotated Anodyne O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 ZINC000084713936 JG Annotated Bother CN1CCC(Nc2nc(N/N=C/c3nccn3Cc3ccc(F)cc3)nc3ccccc23)CC1 ZINC000084724741 JG Annotated Mild COc1cc(/C=N/NC(=O)[C@@H](OC)c2cccc(N(C)C)c2)cc(OC)c1Br ZINC000084725199 JG Annotated Reactive COc1cc(/C=N/NC(=O)[C@H](OC)c2cccc(N(C)C)c2)cc(OC)c1Br ZINC000084725203 JG Annotated Reactive O=C(N[C@@H]1COc2cccc(-c3ccnc(CO)c3)c2C1)c1ccc(OCC(F)(F)F)nc1 ZINC000084725434 JG Annotated Anodyne Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(/C(O)=N/S(=O)(=O)C1CC1)n2Cc1ccnc(N)c1 ZINC000084725525 JG Annotated Mild O=C(Oc1cc2c(c(OC(=O)c3cc(O)c(O)c(O)c3)c1)CCCC2)c1cc(O)c(O)c(O)c1 ZINC000084730194 JG Annotated Clean O=C(Oc1ccc(OC(=O)c2cc(O)c(O)c(O)c2)c2c1CCCC2)c1cc(O)c(O)c(O)c1 ZINC000084730197 JG Annotated Clean CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cncn3C)n(Cc3ccnc4ccc(Cl)cc34)nc21 ZINC000084730650 JG Annotated Anodyne Cc1c[nH]nc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12 ZINC000084730715 JG Annotated Anodyne CCn1c(=O)c2c(-c3cncn3C)n(Cc3ccnc4ccc(Cl)cc34)nc2n(CC2CC2)c1=O ZINC000084739983 JG Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](OC(=O)C(C)C)N(C[C@H]2OC(=O)C(C)C)[C@H]3C1)OCO5 ZINC000084741677 JG Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](OC(=O)C(C)C)N(C[C@H]2OC(=O)C(C)C)[C@H]3C1)OCO5 ZINC000084741679 JG Annotated Anodyne COc1ccc(-c2ccc(Nc3cccc(S(=O)(=O)CCNC[C@@H]4CCCO4)c3)nc2)cn1 ZINC000084741797 JG Annotated Anodyne COc1ccc(-c2ccc(Nc3cccc(S(=O)(=O)CCNC[C@H]4CCCO4)c3)nc2)cn1 ZINC000084741800 JG Annotated Anodyne O=C(O[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2OC(=O)c2cccnc2)[C@H]3C1)OCO5)c1cccnc1 ZINC000084742638 JG Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(-c4cccnc4)nn3c2)c1F ZINC000084756865 JG Annotated Anodyne CCNC(=O)CC[C@@H](CO)N(C)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000084757207 JG Annotated Anodyne CN(CCCC(=O)NCC#N)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000084757625 JG Annotated Mild CCN(CCCC(=O)NCCO)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000084758144 JG Annotated Anodyne CN(C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1)[C@H](CO)CCC(=O)NCCF ZINC000084758145 JG Annotated Anodyne CCN(CC)CCN1Cc2cc(OC)c3c(c2-c2c(cc(OC)c4c2OCO4)C1=O)OCO3 ZINC000084758417 JG Annotated Anodyne COc1cc2c(c3c1OCO3)-c1c(cc(OC)c3c1OCO3)C(=O)N(CCN1CCCCC1)C2 ZINC000084758419 JG Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(OC(C)C)nn3c2)c1F ZINC000084758938 JG Annotated Anodyne O=C(Cc1cn2cc(Cl)ccc2n1)N1CCC2(CC1)CN(Cc1ccc(-n3nccn3)cc1)C2 ZINC000084759217 JG Annotated Anodyne O=C(C[C@@H]1[C@@H]2C=CC=C[C@@H]2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCC2(CC1)OCCO2 ZINC000084759255 JG Annotated Anodyne in-man O=C(C[C@H]1[C@@H]2C=CC=C[C@@H]2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCC2(CC1)OCCO2 ZINC000084759256 JG Annotated Anodyne in-man O=C(C[C@H]1[C@H]2C=CC=C[C@@H]2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCC2(CC1)OCCO2 ZINC000084759257 JG Annotated Anodyne in-man COc1ncc(-c2cccc3c2C[C@H](NC(=O)c2ccc(COCC(F)(F)F)nc2)CO3)cn1 ZINC000084904188 JG Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](CCO/N=C(\C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000008582356 JG Annotated Mild CCC(C)(C)n1nnnc1CN(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000008582561 JG Annotated Anodyne COc1cc2cc(CN(Cc3nnnn3Cc3ccccc3)C[C@@H]3CCCO3)c(O)nc2cc1OC ZINC000008582637 JG Annotated Anodyne COc1cc2cc(CN(Cc3nnnn3Cc3ccccc3)C[C@H]3CCCO3)c(O)nc2cc1OC ZINC000008582638 JG Annotated Anodyne COc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000008582740 JG Annotated Anodyne Cc1ccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2c1 ZINC000008582818 JG Annotated Anodyne Cc1ccc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2c1 ZINC000008582819 JG Annotated Anodyne C=CC[C@H]1C=C[C@@H](O/N=C2\c3cc(OC)ccc3O[C@@H](c3cccc(OC)c3)[C@@H]2O)[C@@H](CO)O1 ZINC000008585435 JG Annotated Mild Cc1ccc(N2CCN(C(=O)c3nn(C)c4c3CS(=O)(=O)c3ccccc3-4)C[C@@H]2C)cc1 ZINC000008588284 JG Annotated Anodyne Cc1ccc(N2CCN(C(=O)c3nn(C)c4c3CS(=O)(=O)c3ccccc3-4)C[C@H]2C)cc1 ZINC000008588285 JG Annotated Anodyne CCCOc1ccc(CNC(=O)Cn2cc3c(n2)-c2c(oc(C(=O)N4CCOCC4)c2C)CC3)cc1 ZINC000008588877 JG Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1ccccc1OC ZINC000008591456 JG Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N/C(=O)c1cccc(C)c1 ZINC000008591474 JG Annotated Bother O=c1c2sccc2n(Cc2cc(=O)n3ccccc3n2)c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000008593037 JG Annotated Anodyne COCCCNC(=O)Cn1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2c3c(sc21)CCCCC3 ZINC000008593382 JG Annotated Anodyne Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@H](CS(=O)(=O)Cc2cccc(F)c2)N3)cc1 ZINC000008596094 JG Annotated Anodyne Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CS(=O)(=O)Cc2cccc(F)c2)N3)cc1 ZINC000008596096 JG Annotated Anodyne NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c23)C1 ZINC000008596413 JG Annotated Anodyne NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c23)C1 ZINC000008596417 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](CCSC)N2Cc3ccccc3C2=O)cc1 ZINC000008598156 JG Annotated Anodyne COc1ccc(C)cc1NC(=O)Cn1c(=O)ccc2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 ZINC000008600649 JG Annotated Anodyne aggregator CCc1ccc(NC(=O)CN2C(=O)[C@H]3CCCN3c3ccc(S(=O)(=O)N(CC)CC)cc32)cc1 ZINC000008602805 JG Annotated Anodyne CCc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCN3c3ccc(S(=O)(=O)N(CC)CC)cc32)cc1 ZINC000008602806 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C)cc1C)C(=O)[C@H]1CCCN21 ZINC000008602807 JG Annotated Anodyne aggregator CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C)cc1C)C(=O)[C@@H]1CCCN21 ZINC000008602808 JG Annotated Anodyne aggregator O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc3c(cc21)OCO3)Nc1ccccc1 ZINC000008603522 JG Annotated Anodyne COc1cc(OC)c(NC(=O)Cn2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)cc1Cl ZINC000008604748 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1c(C)cccc1C)C(=O)[C@H]1CCCN21 ZINC000008610464 JG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H]1CCCN21 ZINC000008610466 JG Annotated Anodyne Cc1ccc(CNC(=O)CN2C(=O)[C@H]3CCCCN3c3ccc(C(=O)N4CCCC4)cc32)cc1 ZINC000008610724 JG Annotated Anodyne Cc1ccc(CNC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(C(=O)N4CCCC4)cc32)cc1 ZINC000008610725 JG Annotated Anodyne O=C(CN1C(=O)[C@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21)NCc1ccc(F)cc1 ZINC000008610733 JG Annotated Anodyne O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21)NCc1ccc(F)cc1 ZINC000008610735 JG Annotated Anodyne Cc1cc(=O)n2nc(N3CCC(C(=O)Nc4ccc(Br)cc4F)CC3)sc2n1 ZINC000008610870 JG Annotated Anodyne COCCCNC(=O)c1nc2ccccc2c(=O)n1NC(=O)Nc1c(Cl)cccc1Cl ZINC000008616586 JG Annotated Anodyne CCOC(=O)/C(C#N)=C/Nc1ccc(S(=O)(=O)c2ccc(N/C=C(\C#N)C(=O)OCC)cc2)cc1 ZINC000008626728 JG Annotated Reactive CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OC)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](CO)[C@@H]1CO ZINC000008628931 JG Annotated Anodyne COc1ccc(C(OCCS(=O)(=O)CCO)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000008637073 JG Annotated Anodyne CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000008654421 JG Annotated Anodyne aggregator CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)Nc3nccs3)c21 ZINC000008661259 JG Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCCN(C)C)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000008661282 JG Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCCN(C)C)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000008661283 JG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCCN(C)C)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000008661284 JG Annotated Anodyne CN(C1CCCCC1)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCc3ccccc3)c2c1 ZINC000008661328 JG Annotated Anodyne CN(C1CCCCC1)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccccc3)c2c1 ZINC000008661330 JG Annotated Anodyne C[C@@H]1CCCN(C(=O)CCS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)C1 ZINC000008661641 JG Annotated Anodyne C[C@H]1CCCN(C(=O)CCS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)C1 ZINC000008661642 JG Annotated Anodyne COc1cc(NS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)cc(OC)c1 ZINC000008662510 JG Annotated Anodyne COc1ccc(C(=O)N=c2c(C#N)cc3c(=O)n4cccc(C)c4nc3n2Cc2ccco2)cc1 ZINC000008670569 JG Annotated Anodyne C[C@@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)N5CCCCC5)CC4)cc3c(C(=O)O)c2C1 ZINC000008671711 JG Annotated Anodyne C[C@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)N5CCCCC5)CC4)cc3c(C(=O)O)c2C1 ZINC000008671712 JG Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)NCc3cccnc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000008671985 JG Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)NCc3cccnc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000008671986 JG Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)NCc3cccnc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000008671987 JG Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)NCc3cccnc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000008671988 JG Annotated Anodyne COc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 ZINC000008674199 JG Annotated Anodyne CCC1=C2CC[C@H]3C(=O)N(C)C(=O)[C@H]3[C@H]2[C@@]2(Cc3ccccc3)/C(=N/CC3CC3)OC(=O)N2C1=O ZINC000008679886 JG Annotated Mild Cc1ccc(S(=O)(=O)N2CCC(=O)N(CCOCc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000008680235 JG Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)CSc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000008680512 JG Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)CSc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000008680513 JG Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CSc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000008680514 JG Annotated Anodyne O=C(O)CC/C(=N\Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1cccs1 ZINC000008680930 JG Annotated Mild COc1ccc([C@H]2Oc3c(I)c(OC)cc(OC)c3C[C@H]2O)cc1OC ZINC000008681368 JG Annotated Anodyne COc1ccc([C@@H]2Oc3c(I)c(OC)cc(OC)c3C[C@H]2O)cc1OC ZINC000008681369 JG Annotated Anodyne COc1ccc([C@@H]2Oc3c(I)c(OC)cc(OC)c3C[C@@H]2O)cc1OC ZINC000008681370 JG Annotated Anodyne COC(=O)[C@@H](NC(=O)O[C@@H]1C(=O)c2cc(OC)ccc2O[C@H]1c1cccc(OC)c1)C(C)C ZINC000008681933 JG Annotated Anodyne CCOC(=O)CNC(=O)O[C@@H]1C(=O)c2cc(Br)ccc2O[C@H]1c1cccc(OC)c1 ZINC000008681970 JG Annotated Anodyne Cc1cccc(NC(=S)NC[C@]23C=C[C@H](O2)[C@H]2C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)c1 ZINC000008682571 JG Annotated Anodyne O=C(Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1)NC[C@@H]1CCCO1 ZINC000008682866 JG Annotated Anodyne O=C(Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1)NC[C@H]1CCCO1 ZINC000008682867 JG Annotated Anodyne C/C(=N\NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)c1cccc(NC(=O)c2cccnc2)c1 ZINC000008684134 JG Annotated Reactive Cc1ccc(-n2nc(C)c(/C=N/c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2O)c(C)c1 ZINC000008686509 JG Annotated Mild CC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1OC(C)=O ZINC000008688076 JG Annotated Mild Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccco3)CC2)n1 ZINC000008690894 JG Annotated Anodyne COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)N(C(=O)c1ccc(C)cc1)N[C@H]2c1ccccc1F ZINC000008690946 JG Annotated Anodyne O=C(Cn1c(=O)n(CCc2c[nH]c3ccccc23)c(=O)c2cccnc21)Nc1ccccc1F ZINC000008690999 JG Annotated Anodyne aggregator CC[C@@H](c1nnnn1CCOC)N(Cc1cc2c(C)cc(C)cc2nc1O)C[C@@H]1CCCO1 ZINC000008772965 JG Annotated Anodyne CC[C@H](c1nnnn1CCOC)N(Cc1cc2c(C)cc(C)cc2nc1O)C[C@@H]1CCCO1 ZINC000008772966 JG Annotated Anodyne C[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(/C(O)=N/Cc4ccc5c(c4)OCO5)c3c2)C1 ZINC000008811276 JG Annotated Mild C[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(/C(O)=N/Cc4ccc5c(c4)OCO5)c3c2)C1 ZINC000008811279 JG Annotated Mild CCn1cc(C(=O)N2CCc3ccccc32)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000008828491 JG Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)[nH]c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829583 JG Annotated Anodyne COC(=O)CCC(=O)O[C@@]1(C)C(=O)C2=COC(c3ccc(OC)cc3)=CC2=C(Br)C1=O ZINC000008860642 JG Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C2=COC(c3ccc(OC)cc3)=CC2=C(Br)C1=O ZINC000008860643 JG Annotated Mild CCN1CCC[C@@H]1CNC(=O)C1CCN(C(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008933668 JG Annotated Anodyne CCN1CCC[C@H]1CNC(=O)C1CCN(C(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008933670 JG Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@@H]3C(=O)Nc3c(F)cc(F)cc3Br)sc2n1 ZINC000008933822 JG Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@H]3C(=O)Nc3c(F)cc(F)cc3Br)sc2n1 ZINC000008933824 JG Annotated Anodyne COc1cc(O)c(C(=O)O[C@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@]23O)c(C)c1Cl ZINC000085487883 JG Annotated Reactive in-vitro biogenic C[C@@H]1N[C@H](C2CCC(CCCCC[C@](O)(CNC3(C)CCNCC3)CC(=O)O)CC2)CC[C@H]1O ZINC000085488088 JG Annotated Anodyne in-vitro biogenic C[C@H]1[C@H](O)CC[C@H]2C[C@H](CCCCCCC[C@](O)(CNC3(C)CCNCC3)CC(=O)O)CCN21 ZINC000085488102 JG Annotated Anodyne in-vitro biogenic CCNC[C@@](O)(CCCCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](O)[C@H](C)N2)C[C@H]1CCCO)CC(=O)O ZINC000085488189 JG Annotated Anodyne in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C=C(/CCCC[C@@H]1N[C@H](C)CCC[C@H]1CC(=O)O)C[C@H](O)CO ZINC000085490817 JG Annotated Anodyne in-vitro biogenic COc1ccc2cc1-c1cc(ccc1OC)[C@@H]1C[C@H](O)[C@@H](O)[C@@H]3CCC[C@H](C[C@H](O)CC2)N13 ZINC000085511847 JG Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532347 JG Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CC4CCCC4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532545 JG Annotated Anodyne in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1cc3c(cc1[C@H](OC(C)=O)[C@H]1COC(=O)[C@]1(C)C2)OCO3 ZINC000085540012 JG Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@H](O)[C@@]34[C@@H](O)CC[C@@]5(C)CCCC(=CO[C@]23CCC2=CC(=O)OC2)[C@]154 ZINC000085542118 JG Annotated Anodyne in-vitro biogenic C[C@]12C#CCCC(=O)O[C@H](C1)[C@]13C4=CO[C@@]2(CCC2=CC(=O)OC2)[C@@]1(CO)[C@@H](O)CC[C@@]3(C)CCC4 ZINC000085542121 JG Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@H](O)[C@@]3([C@@H](O)CC[C@@](C)(C4CCCC4)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542273 JG Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(CO)[C@@H](O)CC[C@@](C)(C3CCCCC3)[C@H]12 ZINC000085542346 JG Annotated Anodyne in-vitro biogenic CC(=O)O[C@@]12C[C@@H](C)[C@](O)(CCC3=CC(=O)OC3)[C@@]3(C)CCC[C@@](C)([C@@H]4CCC[C@H]4NN1)[C@@H]32 ZINC000085542545 JG Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]23CC[C@@H]1[C@@](N)(CCO)[C@@H]2C#CCc1cc(O)ccc1C[C@H]1C[C@H]3C[C@H](CO)C1 ZINC000085543100 JG Annotated Mild in-vitro biogenic CC[C@H]1OC(=O)[C@@H](OC)C[C@H]2C=C[C@@H]3[C@H]4[C@H](O)[C@@H](C)[C@@H](OC(=O)c5ccc[nH]5)[C@@H]3O[C@@]24/C(C)=C/[C@H]1C ZINC000085546174 JG Annotated Anodyne COC(=O)CC[C@@]1(C)[C@H](C(C)(C)O)[C@H](O)C[C@]2(C)Oc3c(C)c4c(c(OC)c3C[C@@H]21)C(=O)OC4 ZINC000085546871 JG Annotated Anodyne C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@@H]2CC[C@H]3C[C@@H]4C[C@H](O)C5(CCCC5)[C@H]4N[C@H]3[C@@H]2[C@@]2(O)CN12 ZINC000085547682 JG Annotated Anodyne in-vitro biogenic C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@@H]3N1[C@]3(O)[C@H]2[C@H]1C[C@H]2CC[C@H]3CCC[C@]34[C@@H](O)C[C@H]2[C@@H]4N1 ZINC000085547699 JG Annotated Anodyne in-vitro biogenic C[C@H](c1ccc(C=O)cc1)[C@H]1C[C@@H]([C@H]2C[C@H]3CC[C@H]4CCC[C@]45[C@@H](O)C[C@H]3[C@@H]5N2)[C@@]2(O)CN12 ZINC000085547700 JG Annotated Anodyne in-vitro biogenic C[C@]12CCSSC[C@@H](N=C(N)N)CCCC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000085549493 JG Annotated Reactive in-vitro biogenic C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@@H](O)CCC[C@@H](C)C/C=C/[C@@H]3[C@@H]1O ZINC000085564320 JG Annotated Mild COc1cc([C@@H]2Oc3cc(OCCO)c4c(c3C[C@H]2O)CCc2cc(O)ccc2-4)cc(OC)c1O ZINC000085567899 JG Annotated Anodyne in-vitro biogenic CNCO[C@@H]1Cc2c(cc(OCCO)c3c2CCc2cc(O)ccc2-3)O[C@@H]1c1ccc(O)c(OC)c1 ZINC000085568187 JG Annotated Anodyne in-vitro biogenic C=CCc1ccc(O[C@H]2O[C@H]([C@@H](O)CCCO)[C@@H](O)[C@H](O)[C@H]2OCCCCC2CCCC2)cc1 ZINC000085592256 JG Annotated Mild in-vitro biogenic COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592689 JG Annotated Clean in-vitro biogenic C/C(CCc1ccnc(N)c1)=C(/CO)C[C@@]12O[C@]1(C(=O)OC1CCCC1)C(=O)c1ccccc1C2=O ZINC000085592712 JG Annotated Clean in-vitro biogenic CNCc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3ccc(OC)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592972 JG Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2cc(CCCO)c(OC)cc2[C@H](O)[C@@H]1[C@H]1COc2ccc(OC)cc2[C@H]1O ZINC000085592974 JG Annotated Anodyne in-vitro biogenic COCCc1cc([C@@H]2CC[C@@]3(O)Cc4c(cc5oc(CO)cc(=O)c5c4O)O[C@@]3(C)C2)ccc1N ZINC000085593531 JG Annotated Anodyne in-vitro biogenic CC[C@@H](O)c1cc(=O)c2c(O)c3c(cc2o1)O[C@@](C)(CCc1ccc(N)c(CCOC)c1)[C@H](O)C3 ZINC000085593546 JG Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(C)O[C@@H]1CCc1ccnc(N)c1)C3 ZINC000085594105 JG Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(C)O[C@@H]1CCc1ccnc(N)c1)C3 ZINC000085594106 JG Annotated Anodyne in-vitro biogenic CC(C)c1c2c(c(OC3CCCC3)c3c(=O)cc([C@H](O)CCN=C(N)N)oc13)C[C@@H](C(C)(C)O)O2 ZINC000085594425 JG Annotated Mild in-vitro biogenic CC(C)(O)[C@@H]1Cc2c(cc3oc([C@H](O)C4(CN=C(N)N)CCCC4)cc(=O)c3c2OC2CCCC2)O1 ZINC000085594445 JG Annotated Mild in-vitro biogenic COc1c2c(cc3oc(CO)c(Cc4ccc(NO)cc4)c(=O)c13)O[C@H]1[C@H]2CCC[C@@]1(C)O ZINC000085594464 JG Annotated Anodyne in-vitro biogenic C/C=C(\CCO)C(=O)OC(C)(C)[C@]1(Cc2ccnc(N)c2)Cc2cc3ccc(=O)oc3cc2O1 ZINC000085594681 JG Annotated Anodyne in-vitro biogenic C/C=C(\CCO)C(=O)OC(C)(C)[C@]1(Cc2ccc(N)nc2)Cc2cc3ccc(=O)oc3cc2O1 ZINC000085594685 JG Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C(C=O)C(=C2CCC(=O)CC2)c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 ZINC000085594990 JG Annotated Reactive in-vitro biogenic CCOC(=O)C1=CC(=C2CCC(=O)CC2)c2c(cc3c(c2OCCCO)C[C@@H](C(C)(C)O)O3)O1 ZINC000085594996 JG Annotated Anodyne in-vitro biogenic CCOC(=O)C1=CC(=C2CCC(=O)CC2)c2c(cc3c(c2OC)C[C@@H]([C@](C)(O)C2CCNCC2)O3)O1 ZINC000085595002 JG Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C/C(=C\C[n+]2cc[nH]c2)c2c(cc3c(c2OC)[C@H]2CCC[C@@](C)(O)[C@H]2O3)O1 ZINC000085595004 JG Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C/C(=C\C[n+]2cc[nH]c2)c2c(cc3c(c2OC)C[C@@H]([C@@](C)(O)C2CCCC2)O3)O1 ZINC000085595014 JG Annotated Anodyne in-vitro biogenic CCCOc1c2c(cc3c1/C(=C/C[n+]1cc[nH]c1)C=C(C(=O)OCC)O3)O[C@H](C(C)(C)O)C2 ZINC000085595028 JG Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c(-c3cccc(O)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCO ZINC000085595277 JG Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595289 JG Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c(Cc3ccnc(N)c3)c3oc(CO)cc(=O)c3c2O)OC1(C)C ZINC000085595302 JG Annotated Anodyne in-vitro biogenic CC[C@H](Cc1ccc(O)c(OC)c1)[C@@H](C[C@@H](O)CCc1cc(OC)c(O)c(OC)c1)OCO ZINC000085595728 JG Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](O)C[C@@H](O)CCc2ccc(O)c(OC3CCCC3)c2)cc(OCO)c1O ZINC000085595738 JG Annotated Anodyne in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)C[C@H](CCc3ccc(O)cc3)O2)c1Cc1cnc[cH-]1 ZINC000085596384 JG Annotated Clean in-vitro biogenic CCNCCOc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OC)c3)O2)cc(OC)c1O ZINC000085596668 JG Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CCC[C@H](C)O)C[C@@H](OC(C)=O)C1(Cc2ccc(O)c3c2CCCO3)CCNCC1 ZINC000085596826 JG Annotated Anodyne in-vitro biogenic COc1cc(CC2([C@@H](C[C@@H](CCC[C@H](C)O)OC(C)=O)OC(C)=O)CCNCC2)ccc1O ZINC000085596832 JG Annotated Anodyne in-vitro biogenic CCCCC[C@H](C[C@@H](OC(=O)CNC)C1(Cc2ccc(O)c(OC)c2)CCNCC1)OC(C)=O ZINC000085596834 JG Annotated Anodyne in-vitro biogenic CCCCC[C@H](C[C@@H](OC(C)=O)[C@]1(Cc2ccc(O)c(OC)c2)CCN[C@H](O)C1)OC(C)=O ZINC000085596842 JG Annotated Anodyne in-vitro biogenic CC[C@H]1CCC[C@@H](CC)C(=O)NCCC[C@@H](CC)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](N)[C@H]2O)CC1 ZINC000085598457 JG Annotated Anodyne CC[C@H]1CCC[C@@H](CC)C(=O)NCCC[C@@H](CC)[C@H](O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](N)[C@@H]2O)CC1 ZINC000085598458 JG Annotated Anodyne NCOc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OCc3cccc(O)c3)c2)ccc1O ZINC000085625489 JG Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OC3CCCC3)c2)ccc1O ZINC000085625567 JG Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2ccnc(N)c2)C(=O)CCc2cc(O)c(O)c(OC)c2)ccc1O ZINC000085625877 JG Annotated Clean in-vitro biogenic CNCOc1c2cc(c3c1OCCC3)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2 ZINC000085626652 JG Annotated Mild in-vitro biogenic CNC(=N)N[C@H](CCCC(=O)CC(=O)CCc1ccc(O)c(OC2CCCC2)c1)CC[n+]1cc[nH]c1 ZINC000085627021 JG Annotated Anodyne in-vitro biogenic CNC(=N)N[C@@H]1CCCC[C@@]12C#CC[C@H](Cc1ccc(O)c(OC)c1)[C@@H](OC(C)=O)C[C@@H](O)CC2 ZINC000085628260 JG Annotated Mild in-vitro biogenic CNC(=N)N[C@H]1CCC[C@H]2CC[C@H]([C@H](O)C[C@@H](CCc3ccc(O)c(OC)c3)OC(C)=O)C[C@@H]21 ZINC000085628332 JG Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1ccc(O)c(O[C@@H]2CCN[C@H](CNC)C2)c1)OC(C)=O ZINC000085628420 JG Annotated Anodyne in-vitro biogenic CC(=O)c1c(C)cc2c(c1O)C(=O)C(C1=CC(=O)c3cc(C)c(C(C)=O)c(O)c3C1=O)=CC2=O ZINC000085636718 JG Annotated Mild C[C@H]1CC2=C3C1=C[C@@]1(C)C[C@H](O)[C@](C)(C[C@H](O)[C@H](O)[C@@](C)(O)CO)[C@H]1[C@@H]3CC/C2=C\Br ZINC000085646623 JG Annotated Anodyne CC1=CC(=O)[C@H]2CC(=O)[C@H]3[C@@](C)(C[C@@]45OC(=O)C[C@]3(C)[C@]4(C)CC[C@]34C[C@@H](CO)C[C@H](CN35)O4)[C@@H]2C1 ZINC000085647488 JG Annotated Mild CC1=CC(=O)[C@H]2CC(=O)[C@H]3[C@@](C)([C@H](O)[C@@]45OC(=O)C[C@]3(C)[C@]4(C)CC[C@]34C[C@@H](C)C[C@H](CN35)O4)[C@@H]2C1 ZINC000085647494 JG Annotated Mild C=C(C(C)C)[C@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@H]3COC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000085661209 JG Annotated Mild in-man C=C(C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@H]3COC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000085661211 JG Annotated Mild in-man C=C(C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@H]3COC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000085661213 JG Annotated Mild in-man C=C(C(C)C)[C@@H](O)[C@@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@H]3COC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000085661215 JG Annotated Mild in-man C=C(C)[C@@H]1Cc2c(cc(O)c3c(=O)cc(-c4cc(O)c5c(c4)[C@@H](O)[C@H](C(C)(C)O)O5)oc23)O1 ZINC000085666423 JG Annotated Mild COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@@H]3O ZINC000085766713 JG Annotated Anodyne in-man COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@H]2CCCN2C(=O)[C@]1(O)[C@@H]3O ZINC000085766715 JG Annotated Anodyne in-man COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@@H](C=C(C)C)N1C(=O)[C@H]2CCCN2C(=O)[C@]1(O)[C@@H]3O ZINC000085766717 JG Annotated Anodyne in-man COC1=C2C[C@]3(C[C@H](C)O)c4c2c2c(c(O)cc5c2c2c(cc(O)c(c42)C(=O)[C@@H]3OC)OCO5)C1=O ZINC000085803600 JG Annotated Mild O=CN1CCCCN(C(=O)/C=C\c2ccccc2)CCCNC(=O)C[C@@H](c2ccccc2)NCCC1 ZINC000085810638 JG Annotated Anodyne O=C1CC=C(C2=C(O)C(=O)O[C@]23Cc2ccc(cc2)Oc2cc(ccc2O)CCOC3=O)C=CO1 ZINC000085835218 JG Annotated Anodyne O=C1CC=C(C2=C(O)C(=O)O[C@]23Cc2ccc(cc2)Oc2cc(cc(O)c2O)CCOC3=O)C=CO1 ZINC000085835225 JG Annotated Clean O=C1O[C@](Cc2ccc(O)cc2)(C(=O)OCCc2ccc(O)cc2)C(c2ccc(O)cc2)=C1O ZINC000085853972 JG Annotated Anodyne C#C[C@@H](Br)[C@H]1C[C@@H](O)[C@@H](C[C@@H]2O[C@@H]([C@H](Br)CC)C[C@@H]2Br)O1 ZINC000085855515 JG Annotated Reactive CCC[C@H](OC(C)=O)C1=C(Br)[C@](OC)(C(Br)Br)OC1=O ZINC000085856289 JG Annotated Reactive C#C[C@@H](Br)[C@H]1C[C@@H](O)[C@@H](C[C@@H]2O[C@H](CC)[C@@H](Br)C[C@@H]2Br)O1 ZINC000085856826 JG Annotated Reactive C[C@@H]1C/C=C/[C@H]2[C@H]3O[C@@]3(C)[C@H](C)[C@H]3[C@@H](Cc4ccccc4)NC(=O)[C@@]32OC(=O)O/C=C/[C@@](C)(O)C1=O ZINC000085932156 JG Annotated Anodyne CC(=O)C[C@H]1C(=O)C(CO)=CC[C@@](C)(CC[C@H](O)C(C)(C)O)[C@@H]1/C=C/OC(=O)C=C(C)C ZINC000085981701 JG Annotated Mild Cc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)Oc2c(O)cc(C)c(C(=O)O)c2O)c(O)c1 ZINC000085995789 JG Annotated Anodyne CC(C)[C@@]12SS[C@]3(C(=O)N1C)[C@@H](O)[C@]1(c4c[nH]c5ccccc45)c4ccccc4N[C@@H]1N3C2=O ZINC000085996537 JG Annotated Reactive CC[C@@H](C)CC(=O)O[C@@H]1C=C2C(COC(=O)CC(C)(C)O)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2 ZINC000086001933 JG Annotated Anodyne in-man CC[C@H](C)CC(=O)O[C@@H]1C=C2C(COC(=O)CC(C)(C)O)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2 ZINC000086001938 JG Annotated Anodyne in-man CC[C@@H](C)CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)(C)O)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2 ZINC000086001943 JG Annotated Anodyne in-man CC[C@H](C)CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)(C)O)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2 ZINC000086001945 JG Annotated Anodyne in-man CN(C)CCc1c2n(c3ccccc13)[C@@H](c1cc(O)c(O)c(O)c1)[C@H](O)[C@H]2c1ccc(O)cc1O ZINC000086007038 JG Annotated Clean CC1(C)C=COc2c(ccc3c2NC(=O)[C@@]32C(C)(C)C[C@@H]3C[C@]45CCCCN4C[C@@]32NC5=O)O1 ZINC000086028248 JG Annotated Anodyne O=C(O)/C=C\C=C\C1=C(c2ccccc2C(=O)O)C(=O)C(O)=C(c2ccccc2C(=O)O)C1=O ZINC000086037612 JG Annotated Mild CC(C)(O)[C@@H]1O[C@]2(O)CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000086038588 JG Annotated Mild in-man CC(C)(O)[C@@H]1O[C@]2(O)CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000086038590 JG Annotated Mild in-man CC(C)(O)[C@@H]1O[C@@]2(O)CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000086038593 JG Annotated Mild in-man CC(C)(O)[C@@H]1O[C@@]2(O)CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000086038598 JG Annotated Mild in-man CN(C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@]2(C)[C@@H](c5ccc6ccncc6c5)[C@@H](O)C[C@@H]42)C=C3[C@@H](O)[C@@H]1O ZINC000087529851 JG Annotated Anodyne in-vitro Cc1ccc2oc(=O)n(CCCCn3cc(CCCCC[C@@H]4SC[C@H]5NC(=O)N[C@@H]54)nn3)c2c1 ZINC000087613110 JG Annotated Anodyne Cc1ccc2oc(=O)n(CCCCn3cc(CCCCC[C@@H]4SC[C@H]5NC(=O)N[C@H]54)nn3)c2c1 ZINC000087613111 JG Annotated Anodyne Cc1ccc2oc(=O)n(CCCCn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)c2c1 ZINC000087613112 JG Annotated Anodyne Cc1ccc2oc(=O)n(CCCCn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]45)nn3)c2c1 ZINC000087613113 JG Annotated Anodyne COC(=O)[C@@]12CCCN1[C@H](c1ccc(-c3cccc(Cl)c3)c(OC)c1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000087711570 JG Annotated Anodyne CCN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000088260714 JG Annotated Anodyne CCN(CCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](N)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000088260715 JG Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccc(F)c(F)c1 ZINC000088260754 JG Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccc(F)c(F)c1 ZINC000088260755 JG Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccc(F)c(F)c1 ZINC000088260756 JG Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccc(F)c(F)c1 ZINC000088260757 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cc(F)cc(Cl)c2)[C@H](N)CC3)c1 ZINC000088260788 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cc(F)cc(Cl)c2)[C@H](N)CC3)c1 ZINC000088260789 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cc(F)cc(Cl)c2)[C@@H](N)CC3)c1 ZINC000088260790 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cc(F)cc(Cl)c2)[C@@H](N)CC3)c1 ZINC000088260791 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@H](N2CCC2)CC3)c1 ZINC000088261005 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@H](N2CCC2)CC3)c1 ZINC000088261006 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@@H](N2CCC2)CC3)c1 ZINC000088261007 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N2CCC2)CC3)c1 ZINC000088261008 JG Annotated Anodyne Cn1cc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@H](N2CCC2)CC3)cn1 ZINC000088261021 JG Annotated Anodyne Cn1cc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@H](N2CCC2)CC3)cn1 ZINC000088261022 JG Annotated Anodyne Cn1cc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@@H](N2CCC2)CC3)cn1 ZINC000088261023 JG Annotated Anodyne Cn1cc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N2CCC2)CC3)cn1 ZINC000088261024 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2cccc(F)c2)[C@H](N2CCC2)CC3)c1 ZINC000088261031 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2cccc(F)c2)[C@H](N2CCC2)CC3)c1 ZINC000088261032 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2cccc(F)c2)[C@@H](N2CCC2)CC3)c1 ZINC000088261033 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2cccc(F)c2)[C@@H](N2CCC2)CC3)c1 ZINC000088261034 JG Annotated Anodyne O=S(=O)(CC1CC1)NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N1CCOCC1)CC2 ZINC000088261043 JG Annotated Anodyne O=S(=O)(CC1CC1)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N1CCOCC1)CC2 ZINC000088261044 JG Annotated Anodyne O=S(=O)(CC1CC1)NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](N1CCOCC1)CC2 ZINC000088261045 JG Annotated Anodyne O=S(=O)(CC1CC1)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N1CCOCC1)CC2 ZINC000088261046 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@H](N2CCCC2=O)CC3)c1 ZINC000088261055 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@H](N2CCCC2=O)CC3)c1 ZINC000088261056 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@@H](N2CCCC2=O)CC3)c1 ZINC000088261057 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N2CCCC2=O)CC3)c1 ZINC000088261058 JG Annotated Anodyne CC(=O)Oc1cc2[nH]c(I)c(I)c2cc1OC(C)=O ZINC000089203535 JG Annotated Anodyne NS(=O)(=O)OCc1csc(-c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)n1 ZINC000089456445 JG Annotated Anodyne C/C(=C\Cc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)O[C@](C)(CO)C=C3)CO ZINC000089468968 JG Annotated Anodyne C/C(=C\Cc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)O[C@@](C)(CO)C=C3)CO ZINC000089468970 JG Annotated Anodyne O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2oc3ccccc3c21)NCCc1ccccc1 ZINC000009116504 JG Annotated Anodyne CC1CCN(CCCNC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)CC1 ZINC000009153017 JG Annotated Anodyne CC1CCN(CCCNC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)CC1 ZINC000009153018 JG Annotated Anodyne Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)NCCN(Cc1ccco1)C1CCCC1 ZINC000009227702 JG Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)N=C(SC)C(c2ccccc2)=N3)c1 ZINC000009300185 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC3=CC(=O)CC(C)(C)C3)cc2)cc1 ZINC000009373366 JG Annotated Reactive COc1ccc(NC(=O)C(=O)NCC(=O)N(Cc2cccs2)c2ccc(OC)cc2)cc1 ZINC000009376146 JG Annotated Anodyne O=C(CCc1nc2ncccc2c(=O)n1Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000009407562 JG Annotated Anodyne O=C(c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000009434296 JG Annotated Anodyne C/C(=N\NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1F ZINC000009440434 JG Annotated Mild Cc1c(C(=O)N2CCOCC2)sc2nc3n(c(=O)c12)N=C(c1ccc(Cl)cc1)CS3 ZINC000009475154 JG Annotated Anodyne O=C1Nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2N[C@H]1CSCc1cccc(F)c1 ZINC000009490604 JG Annotated Anodyne Cc1cccc2nc(CSc3nc4[nH]ncc4c(=O)n3-c3cccc(Cl)c3)cc(=O)n12 ZINC000009490635 JG Annotated Anodyne O=C1Nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2N[C@@H]1CSCc1cccc(F)c1 ZINC000009490828 JG Annotated Anodyne C/N=C1\S[C@@H](CC(=O)Nc2ccc(C)cc2C)C(=O)N1/N=C(\C)c1ccc(OCC(=O)O)cc1 ZINC000009492980 JG Annotated Mild CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(/C(O)=N/C[C@@H]3CCCO3)c(=O)c2c1 ZINC000009495313 JG Annotated Mild CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(/C(O)=N/C[C@H]3CCCO3)c(=O)c2c1 ZINC000009495317 JG Annotated Mild C[C@H]1C[C@@H](C)CN(C(=O)c2c[nH]c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3c2=O)C1 ZINC000009495440 JG Annotated Anodyne C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3[nH]cc(C(=O)N4C[C@H](C)C[C@@H](C)C4)c(=O)c3c2)C1 ZINC000009495444 JG Annotated Anodyne COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@]23O)c(C)c1Cl ZINC000090668567 JG Annotated Reactive in-man endogenous Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)N4CCN(c5ccccn5)CC4)c(=O)n(C)c32)cc1 ZINC000009526274 JG Annotated Anodyne CCOC(=O)C1=C(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)Nc2ccccc2N=C1CC ZINC000009562949 JG Annotated Anodyne COc1ccc([C@@H]2N[C@@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]23)c(OC)c1 ZINC000009598093 JG Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(F)cc3)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000009598128 JG Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(F)cc3)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000009598130 JG Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@H](c3ccccc3F)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000009598148 JG Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3F)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000009598150 JG Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@H](c3cccs3)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000009598168 JG Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@@H](c3cccs3)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O ZINC000009598170 JG Annotated Anodyne COc1ccc([C@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]23)cc1 ZINC000009598205 JG Annotated Anodyne COc1ccc([C@@H]2N[C@@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]23)cc1 ZINC000009598209 JG Annotated Anodyne COc1ccc([C@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 ZINC000009598221 JG Annotated Anodyne COc1cccc([C@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)c1 ZINC000009598229 JG Annotated Anodyne COc1ccc([C@@H]2N[C@@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]23)cc1OC ZINC000009598241 JG Annotated Anodyne COc1cc(OC)cc(-n2c(=O)c3sccc3n(CC(=O)N(C)C3CCCCC3)c2=O)c1 ZINC000009598863 JG Annotated Anodyne Cc1sc2c(c1C)c(=O)n(-c1ccc3c(c1)OCO3)c(=O)n2CC(=O)N1C[C@@H](C)C[C@@H](C)C1 ZINC000009599095 JG Annotated Anodyne COc1ccc(Br)cc1CN1C(=O)c2ccccc2[C@H]1C(=O)NC[C@@H]1CCCO1 ZINC000009615283 JG Annotated Anodyne COc1ccc(Br)cc1CN1C(=O)c2ccccc2[C@@H]1C(=O)NC[C@@H]1CCCO1 ZINC000009615285 JG Annotated Anodyne COc1ccc(Br)cc1CN1C(=O)c2ccccc2[C@H]1C(=O)NC[C@H]1CCCO1 ZINC000009615291 JG Annotated Anodyne COc1ccc(Br)cc1CN1C(=O)c2ccccc2[C@@H]1C(=O)NC[C@H]1CCCO1 ZINC000009615293 JG Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)c1=NC(=O)/C=C/c1ccccc1 ZINC000009634408 JG Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=NC(=O)/C=C/c1ccccc1 ZINC000009634409 JG Annotated Anodyne CCOc1ccc(CCNC(=O)Cn2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)cc1OCC ZINC000009645314 JG Annotated Anodyne COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)N(C(=O)c1ccc(C)cc1)N[C@H]2c1ccc(F)cc1 ZINC000009673402 JG Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccn4)c(=O)c3c2)cc1 ZINC000009680108 JG Annotated Anodyne COc1ccc(-n2nc(C(=O)NCC(=O)N[C@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3c2=O)c(OC)c1 ZINC000009775925 JG Annotated Anodyne COc1ccc(-n2nc(C(=O)NCC(=O)N[C@H]3CCC[C@H](C)[C@H]3C)c3ccccc3c2=O)c(OC)c1 ZINC000009775926 JG Annotated Anodyne C[C@H]1C[C@H](C)CN(CCCNC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)C1 ZINC000009777134 JG Annotated Anodyne Cc1sc2ncn(CC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1 ZINC000009835171 JG Annotated Anodyne Cc1sc2ncn(CC(=O)Nc3ccc(F)cc3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000009935415 JG Annotated Anodyne Cc1sc2ncn(CC(=O)Nc3ccc(F)cc3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 ZINC000009935416 JG Annotated Anodyne Cc1sc2ncn(CC(=O)NC3CCCCCC3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 ZINC000009935735 JG Annotated Anodyne Cc1sc2ncn(CC(=O)NC3CCCCCC3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000009935742 JG Annotated Anodyne Cc1sc2ncn(CC(=O)NC3CCCCCC3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000009935748 JG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCCN(C)C)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000009936538 JG Annotated Anodyne C[C@@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)N5CCCC5)CC4)cc3c(C(=O)O)c2C1 ZINC000009970045 JG Annotated Anodyne C[C@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)N5CCCC5)CC4)cc3c(C(=O)O)c2C1 ZINC000009970046 JG Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000095098757 JG Annotated Mild in-vitro biogenic C[C@H]1C(=O)O[C@@H]([C@H]2O[C@]34C[C@H]5[C@@H](CC=C6CC=CC(=O)[C@@]65C)[C@@H]5C[C@H](O3)[C@@H]([C@@H]54)[C@@]2(C)O)[C@@H]1C ZINC000095099403 JG Annotated Anodyne in-vitro biogenic C[C@H]1C[C@H]([C@](C)(O)[C@H]2[C@@H](O)C[C@H]3[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC(=O)[C@@H]32)OC(=O)[C@@H]1C ZINC000095099407 JG Annotated Anodyne in-vitro biogenic C[C@H]1C[C@@H]([C@](C)(O)[C@@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)C(=O)C=C[C@H](O)C2=C[C@@H]4O)OC(=O)[C@@H]1C ZINC000095099460 JG Annotated Anodyne in-vitro biogenic CCC1=C2CC[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2[C@@]2(C)/C(=N/CC3CC3)OC(=O)N2C1=O ZINC000095536737 JG Annotated Mild Cc1nn(-c2ccc(Cl)cc2)c(O)c1/C=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000095544576 JG Annotated Mild OCCCCCCCCCCCCCCCCSC1=N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O1 ZINC000095553685 JG Annotated Anodyne CC(C)(C)C(=O)C[C@H](C(N)=O)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000095554724 JG Annotated Mild Cc1nc(N[C@H](C)C2CC2)nc(N[C@@H]2C[C@H](C(C)(C)O)[C@@H](O)[C@H]2O)c1-c1nc2c(C)nccc2s1 ZINC000095555074 JG Annotated Anodyne CNc1cc(-c2nnc(NC(=O)[C@H](Cc3ccccc3)NCc3cscn3)s2)ccn1 ZINC000095555093 JG Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1c2cccc(O)c2C(=O)N1CCc1ncc(F)cn1 ZINC000095555326 JG Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1c2cccc(O)c2C(=O)N1CCc1ncc(F)cn1 ZINC000095555327 JG Annotated Anodyne CCN1CCN(CC(=O)N[C@@]2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(C)cc32)CC1 ZINC000095555748 JG Annotated Anodyne CCN1CCN(CC(=O)N[C@]2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(C)cc32)CC1 ZINC000095555749 JG Annotated Anodyne N#CC1(c2ccccn2)CCN(Cc2cc(C(=O)NC3CCSCC3)c(=O)n3ccccc23)CC1 ZINC000095557812 JG Annotated Mild CN(C(=O)c1cc(CN2CCC(C#N)(c3ccccn3)CC2)c2ccccn2c1=O)C1CCOCC1 ZINC000095557843 JG Annotated Mild COC(=O)c1c(Cc2ccc(S(=O)(=O)CCO)cc2)c(=O)c2ccc(F)cc2n1-c1ccccc1 ZINC000095557905 JG Annotated Anodyne CC(C)c1c(O)c(O)c2c(c1S(=O)(=O)N1CCOCC1)CN(Cc1ccc(F)c(Cl)c1)C2=O ZINC000095558523 JG Annotated Clean COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2 ZINC000095558571 JG Annotated Anodyne C[C@@]1(NC(=O)c2cc(CN3CCC(C#N)(c4ccccn4)CC3)c3ccccn3c2=O)CCCC[C@H]1O ZINC000095558665 JG Annotated Mild Cc1cc(C(N)=O)ccc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2c1ccc(C(=O)NCc2ccccc2)cn1 ZINC000095559075 JG Annotated Anodyne CO[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCC(C#N)(c3ccccn3)CC2)c2ccccn2c1=O ZINC000095559332 JG Annotated Mild N#CC1(c2ccccn2)CCN(Cc2cc(C(=O)Nc3ccccn3)c(=O)n3ccccc23)CC1 ZINC000095559372 JG Annotated Mild CC(=O)c1ccc(N2[C@H]3CC[C@@H]2CC(NC(=O)c2ccc(C(N)=O)c(NCC4CC4)c2)C3)nc1 ZINC000095559887 JG Annotated Anodyne CCn1cc2c(Oc3cnc(C(=O)N(C)C)c(F)c3)cc(C(=O)Nc3cnc(C)cn3)cc2n1 ZINC000095560526 JG Annotated Anodyne Cc1ccc(F)cc1Cn1c(N2CCC[C@@H](N)C2)nc2c3ccc(C(=O)O)cc3n(C)c(=O)c21 ZINC000095561241 JG Annotated Anodyne N[C@@H](CC(=O)NC1(c2cccc(-c3cncs3)c2)CCS(=O)(=O)CC1)Cc1ccccc1F ZINC000095561351 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(O)cc2)c2c(c3ccccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095561866 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)c2c(c3ccccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095561868 JG Annotated Anodyne COc1ccc(CNC(=O)Nc2nc(C(C)(C)NC(=O)OCc3ccccc3)nc(O)c2O)cc1 ZINC000095562215 JG Annotated Anodyne COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CC[C@H]2C)cc1NC(=O)[C@@H]1[C@@H](C)[C@H]1C(=O)O ZINC000095562320 JG Annotated Anodyne COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CC[C@@H]2C)cc1NC(=O)[C@@H]1[C@@H](C)[C@H]1C(=O)O ZINC000095562321 JG Annotated Anodyne CC(C)c1c(O)c(O)c2c(c1S(=O)(=O)N(C)C)CN(Cc1ccc(F)c(Cl)c1)C2=O ZINC000095562324 JG Annotated Clean COc1ccc(S(=O)(=O)n2ccc3c(CN4CCN(C)CC4)cccc32)c(Br)c1 ZINC000095562584 JG Annotated Anodyne CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1 ZINC000095562673 JG Annotated Anodyne N[C@@H](CC(=O)NC1(c2cccc(-c3nccs3)c2)CCS(=O)(=O)CC1)Cc1ccccc1F ZINC000095563081 JG Annotated Anodyne Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCC4)c(F)c3)c3cn(C)nc3c2)cn1 ZINC000095563252 JG Annotated Anodyne N[C@@H](CC(=O)NC1(c2nc(-c3ccccc3)cs2)CCS(=O)(=O)CC1)Cc1ccccc1F ZINC000095563404 JG Annotated Anodyne Cn1c(C(=O)NN2C(=O)CS[C@H]2c2ccccc2)cc(Br)c1Br ZINC000095563871 JG Annotated Anodyne Cn1c(C(=O)NN2C(=O)CS[C@@H]2c2ccccc2)cc(Br)c1Br ZINC000095563872 JG Annotated Anodyne CC(C)(NS(=O)(=O)c1cccc(OC2CCCC2)c1)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1 ZINC000095563927 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(O)c(OC)c2)c2c(c3ccccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095563998 JG Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(O)c(OC)c2)c2c(c3ccccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095564000 JG Annotated Anodyne C[C@@]1(O)CCCC[C@H]1NC(=O)c1cc(CN2CCC(C#N)(c3ccccn3)CC2)c2ccccn2c1=O ZINC000095564021 JG Annotated Mild N#CC1(c2ccccc2)CCN(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(=O)n3ccccc23)CC1 ZINC000095564229 JG Annotated Mild Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2cc(F)ccc2Cl)c2ccc(C(=O)O)cc21 ZINC000095564285 JG Annotated Anodyne O=C(Oc1c(C(=O)Nc2ncc([N+](=O)[O-])s2)cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000095564324 JG Annotated Reactive COc1ccc(C(=O)Nc2ccc(C(=O)NN3C(=O)CS[C@H]3c3coc([N+](=O)[O-])c3)cc2)cc1 ZINC000095564532 JG Annotated Bother COc1ccc(C(=O)Nc2ccc(C(=O)NN3C(=O)CS[C@@H]3c3coc([N+](=O)[O-])c3)cc2)cc1 ZINC000095564533 JG Annotated Bother Nc1cccc(CN2C(=O)CN(NC(=O)c3ccc(-c4cccc(Br)c4)o3)C2=O)c1 ZINC000095564803 JG Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCC=C2N(Cc2ccc3c(c2)OCO3)C1=O ZINC000095564829 JG Annotated Anodyne O=C1C(=O)N(c2ccccc2I)CCN1Cc1ccc(F)cc1Cl ZINC000095565062 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2ccc(F)cc2)C[C@H]1C ZINC000095566407 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2OC[C@H](C)NC[C@@H]1C ZINC000095566555 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095566602 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@@H](CO)[C@H]1O2)c1cccnc1 ZINC000095566768 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095566801 JG Annotated Anodyne O=S1(=O)N[C@H](Cc2ccccc2)COc2cccc(N3CCN(Cc4ccccc4F)CC3)c21 ZINC000095566877 JG Annotated Anodyne COC(=O)[C@@]1(C(C)C)N=C(c2cc(OC)c(OC)c(OC)c2)[C@]2(O1)C(=O)Nc1ccc(F)cc12 ZINC000095566932 JG Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095567420 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095567611 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095567616 JG Annotated Mild O=C(Nc1ccc(F)cc1)[C@H](c1cc2ccccc2o1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000095567634 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@@H](c1cc2ccccc2o1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000095567635 JG Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NCCCN(C)C)CC(C(=O)N3CCCCCC3)=C2C)cc1 ZINC000095567651 JG Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NCCCN(C)C)CC(C(=O)N3CCCCCC3)=C2C)cc1 ZINC000095567652 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095567944 JG Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095568005 JG Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095568045 JG Annotated Anodyne O=S1(=O)N[C@@H](Cc2ccccc2)COc2cc(N3CCN(Cc4ccccc4F)CC3)ccc21 ZINC000095568321 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@H]1O2)c1cccnc1 ZINC000095568349 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2OC[C@H](C)NC[C@H]1C ZINC000095568421 JG Annotated Anodyne CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000095568482 JG Annotated Anodyne CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000095568483 JG Annotated Anodyne COc1ccc(SC2=C[C@@]3(O)CC[C@@H](O)[C@@](Sc4ccc(OC)cc4)(C2=O)[C@H]3O)cc1 ZINC000095568532 JG Annotated Mild COCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(Cc2ccccc2)C1=O ZINC000095568620 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095568882 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095568925 JG Annotated Anodyne CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000095568995 JG Annotated Anodyne CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000095568996 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095569168 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2OC[C@H](C)NC[C@H]1C ZINC000095569299 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095569380 JG Annotated Anodyne CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095569988 JG Annotated Anodyne CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095569989 JG Annotated Anodyne O=S1(=O)N[C@@H](Cc2ccccc2)COc2cccc(N3CCN(Cc4ccccc4F)CC3)c21 ZINC000095570305 JG Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CCCC1)[C@H](C)CO2 ZINC000095570465 JG Annotated Anodyne COc1ccc(OC)c(N2C(=O)c3ccccc3[C@H]2c2nnnn2-c2ccc3c(c2)OCCO3)c1 ZINC000095570543 JG Annotated Anodyne COc1ccc(OC)c(N2C(=O)c3ccccc3[C@@H]2c2nnnn2-c2ccc3c(c2)OCCO3)c1 ZINC000095570544 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO ZINC000095570647 JG Annotated Anodyne COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@H]2c2nnnn2-c2ccc3c(c2)OCCO3)c1 ZINC000095570973 JG Annotated Anodyne COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2-c2ccc3c(c2)OCCO3)c1 ZINC000095570974 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095571024 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2OC[C@@H](C)NC[C@H]1C ZINC000095571042 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095571043 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095571471 JG Annotated Anodyne CN1C(=N)N[C@@]2(c3cc(-c4cccc(C#N)c4)cs3)CN(c3ncc(Cl)cn3)C[C@H]2C1=O ZINC000095572151 JG Annotated Mild COc1cccc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3cc(-c4cccc(C#N)c4)cs3)C2)n1 ZINC000095572258 JG Annotated Mild COc1cc2c3c(n(CCCn4ccnc4)c(=O)c2cc1OC)-c1cc2c(cc1[C@H]3O)OCO2 ZINC000095572294 JG Annotated Anodyne COc1cc2c3c(n(CCCn4ccnc4)c(=O)c2cc1OC)-c1cc2c(cc1[C@@H]3O)OCO2 ZINC000095572295 JG Annotated Anodyne Cc1c([C@H](N)C(=O)OCCCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000095572456 JG Annotated Clean Cc1c([C@@H](N)C(=O)OCCCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000095572457 JG Annotated Clean O=C(c1ccoc1)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000095573298 JG Annotated Bother CCOc1cc(CN2CC[C@@]3(C[C@@H]2C)CN(C)S(=O)(=O)N3c2cccc(F)c2)ccc1O ZINC000095577500 JG Annotated Anodyne COc1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)OCO/N=[N+](\[O-])N2CCCC2)cc1 ZINC000095578225 JG Annotated Clean O=C([C@@H]1C[C@H](n2cc(-c3ccccn3)nn2)CN1C(=O)CCCc1ccccc1)N1CCCC1 ZINC000095578716 JG Annotated Anodyne O=C(Nc1ccccc1)c1cc(N2CCN(C(=O)n3nnc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000095578964 JG Annotated Bother C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](CNCC4CC4)c4ccc(Cl)cc4)CC3)c21 ZINC000095579215 JG Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(CCNC(C)=O)c(-c3ccc(C(F)(F)F)cc3)c2)OC1(C)C ZINC000095579522 JG Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(CCNC(C)=O)c(-c3ccccc3SC)c2)OC1(C)C ZINC000095579591 JG Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(NCc3ccc(Cl)cc3)ccc21 ZINC000095579640 JG Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(CCNC(C)=O)c(-c3cccc(C(F)(F)F)c3)c2)OC1(C)C ZINC000095580070 JG Annotated Anodyne CC(C)Oc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(OC3CCCC3)O[C@H]2[C@@]1(C)F ZINC000095580128 JG Annotated Anodyne CC(C)Oc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(OC3CCCC3)O[C@H]2[C@@]1(C)F ZINC000095580129 JG Annotated Anodyne CC(C)OC(=O)N1CCC(Oc2ncnc3c2CCN3c2ccc([S@@](=O)N(C)C)cc2)CC1 ZINC000095580178 JG Annotated Anodyne CC(C)OC(=O)N1CCC(Oc2ncnc3c2CCN3c2ccc([S@](=O)N(C)C)cc2)CC1 ZINC000095580179 JG Annotated Anodyne N#C[C@@H](C(=O)NCCc1ccc(C(N)=O)cc1)c1nc2ccccc2nc1N1CCCCCC1 ZINC000095580777 JG Annotated Mild N#C[C@H](C(=O)NCCc1ccc(C(N)=O)cc1)c1nc2ccccc2nc1N1CCCCCC1 ZINC000095580778 JG Annotated Mild Cc1cc(O)cc(C)c1CN1CCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000095580853 JG Annotated Anodyne COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CO)CC2)ccc1Cl ZINC000095580909 JG Annotated Anodyne CCOC(=O)C(Cl)=C1CCN(c2ccc(N3C[C@H](Cn4cc(F)nn4)OC3=O)cc2F)CC1 ZINC000095581281 JG Annotated Anodyne COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CN)CC2)ccc1Cl ZINC000095582028 JG Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(F)cc1-c1cc(N)n[nH]1 ZINC000095582098 JG Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cnc(N)nc1-c1ccccc1 ZINC000095582127 JG Annotated Mild CCOC(=O)C(C)=C1CCN(c2ccc(N3C[C@H](Cn4cc(F)nn4)OC3=O)cc2F)CC1 ZINC000095582697 JG Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(-c2nc(CO)co2)cc1 ZINC000095582922 JG Annotated Mild COC(=O)c1ccc(Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c(-c2ccnn2C)c1 ZINC000095582982 JG Annotated Mild CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)N1CCN(Cc2cccnc2)CC1 ZINC000095583298 JG Annotated Anodyne COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(CN)c1Cl ZINC000095583373 JG Annotated Anodyne COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(CO)c1Cl ZINC000095583395 JG Annotated Anodyne CCOC(=O)C(Cl)=C1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000095583592 JG Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-n1cnnn1 ZINC000095584045 JG Annotated Mild CCON1CCN/C1=N\c1ccc(NC(=O)Nc2ccc(/N=C3\NCCN3OCC)cc2)cc1 ZINC000095584758 JG Annotated Mild CN(C)C(=O)c1cnn(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)c1 ZINC000095585467 JG Annotated Mild COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)[C@H](CO)C2)ccc1Cl ZINC000095585562 JG Annotated Anodyne CCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(SC(F)(F)F)cc1)CC2 ZINC000095586191 JG Annotated Anodyne Oc1c(I)cc(Cl)cc1CN1CCC(N2CCC(O)CC2)CC1 ZINC000095586204 JG Annotated Clean Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc(O)c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O ZINC000095586555 JG Annotated Anodyne CN(C)CCn1nc2c3c(c(NCCCCCCOS(C)(=O)=O)ccc31)C(=O)c1ccncc1-2 ZINC000095586856 JG Annotated Mild CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc(CCN4CCOCC4)cc3)c2C)C1=O ZINC000095586878 JG Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC=C3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000095586883 JG Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000095587038 JG Annotated Mild CCc1[nH]c2nc(Sc3ccc4[nH]cc(C(=O)O)c(=O)c4c3)nc(N3CC[C@H](N)C3)c2c1Cl ZINC000095587193 JG Annotated Anodyne CCc1[nH]c2nc(Sc3ccc4[nH]cc(C(=O)O)c(=O)c4c3)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000095587194 JG Annotated Anodyne O=C1O[C@@H](CNS(=O)(=O)c2cccc(Cl)c2)CN1c1ccc(N2CCSCC2)c(F)c1 ZINC000095587443 JG Annotated Anodyne COC1=C[C@H]2[C@H]3Cc4c(/C=C/C(=O)OCC(C)C)cc(OC)c(O)c4[C@@]2(CCN3C)CC1=O ZINC000095587539 JG Annotated Mild CC(=O)O[C@H]1[C@@H](O)[C@@]2(C)C3=CC[C@@H](c4ccoc4)[C@]3(C)CC[C@@H]2[C@@]2(C)C(=O)[C@H]3O[C@H]3[C@]3(CO3)[C@H]12 ZINC000095587628 JG Annotated Anodyne CCCCOC(=O)/C=C/c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C ZINC000095588593 JG Annotated Mild COc1ccc(-c2ccc3c(N4CCSCC4)nc(N4C[C@H](C)O[C@H](C)C4)nc3n2)cc1CO ZINC000095588882 JG Annotated Anodyne CN1c2ccc(-c3ccc(C(=O)N4CCC(CCO)CC4)cc3)cc2-c2[nH]ncc2S1(=O)=O ZINC000095589460 JG Annotated Anodyne CCNC(=O)NC1CN(c2nc(Sc3cnc4nccnc4c3)nc3[nH]c(CC)c(Cl)c23)C1 ZINC000095589734 JG Annotated Anodyne CNS(=O)(=O)c1ccc(C(=O)N2CCOc3ccc(-c4ccc5nc[nH]c5c4)cc3C2)cc1 ZINC000095590663 JG Annotated Anodyne COC1=C[C@H]2[C@H]3Cc4c(/C=C/C(=O)OC(C)(C)C)cc(OC)c(O)c4[C@@]2(CCN3C)CC1=O ZINC000095590740 JG Annotated Mild Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc(O)c(Oc4ccc(Cl)cc4)c3)C2)c(=O)[nH]c1=O ZINC000095590860 JG Annotated Anodyne CS(=O)(=O)n1c(CN2C(=O)[C@]3(NC(=O)c4ccccc4N3)c3ccccc32)cc2cc(F)ccc21 ZINC000095591032 JG Annotated Anodyne CS(=O)(=O)n1c(CN2C(=O)[C@@]3(NC(=O)c4ccccc4N3)c3ccccc32)cc2cc(F)ccc21 ZINC000095591033 JG Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@H]4CCN[C@H]4C3)c2c1Cl ZINC000095591110 JG Annotated Anodyne Cc1ccc2c(c1)cc(CN1C(=O)[C@]3(NC(=O)c4ccccc4N3)c3ccccc31)n2S(C)(=O)=O ZINC000095591255 JG Annotated Anodyne Cc1ccc2c(c1)cc(CN1C(=O)[C@@]3(NC(=O)c4ccccc4N3)c3ccccc31)n2S(C)(=O)=O ZINC000095591256 JG Annotated Anodyne CS(=O)(=O)n1c(CN2C(=O)[C@]3(NC(=O)c4ccccc4N3)c3ccccc32)cc2ccccc21 ZINC000095591472 JG Annotated Anodyne CS(=O)(=O)n1c(CN2C(=O)[C@@]3(NC(=O)c4ccccc4N3)c3ccccc32)cc2ccccc21 ZINC000095591473 JG Annotated Anodyne CS(=O)(=O)NCc1cccc(-c2cc(=O)n(C[C@@H]3CN4CCC3CC4)c3ccccc23)c1 ZINC000095591981 JG Annotated Anodyne CS(=O)(=O)NCc1cccc(-c2cc(=O)n(C[C@H]3CN4CCC3CC4)c3ccccc23)c1 ZINC000095591982 JG Annotated Anodyne CCc1[nH]c2nc(Sc3ccc4cc5c([n+]([O-])c4c3)CCNC5)nc(N3CC[C@H](N)C3)c2c1Cl ZINC000095592001 JG Annotated Anodyne CCc1[nH]c2nc(Sc3ccc4cc5c([n+]([O-])c4c3)CCNC5)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000095592002 JG Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NC(=O)C4CC4)C3)c2c1Cl ZINC000095592254 JG Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@@H]4CCN[C@@H]4C3)c2c1Cl ZINC000095592275 JG Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@H]4NCC[C@@H]4C3)c2c1Cl ZINC000095592276 JG Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000095592388 JG Annotated Mild CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@@H]4CNC[C@@H]4C3)c2c1Cl ZINC000095592922 JG Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@H]4CNC[C@@H]4C3)c2c1Cl ZINC000095592923 JG Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@@H]4CNC[C@H]4C3)c2c1Cl ZINC000095592924 JG Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCNCC(N)=O)c(C)c3oc2=O)ccc1O ZINC000095593059 JG Annotated Anodyne CS(=O)(=O)c1ccc(NCc2cnn(C3CCN(C(=O)OC4CCC4)CC3)c2)c(F)c1 ZINC000095593393 JG Annotated Anodyne COCCc1sc[n+](CCCCCn2cc(CCC[n+]3csc(CCOC)c3C)nn2)c1C ZINC000095593395 JG Annotated Anodyne O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12 ZINC000095593534 JG Annotated Anodyne CC[C@H](C)[C@H](OCc1ccccc1)[C@@H]1[C@@H](C(=O)NCCC(=O)O)N[C@@H](c2ccccc2)[C@H]1[N+](=O)[O-] ZINC000095593994 JG Annotated Bother CC(=O)N(O)Cc1ccccc1P(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000095594627 JG Annotated Anodyne O=C(NC[C@H](O)CO)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2 ZINC000095595281 JG Annotated Anodyne O=C(NC[C@@H](O)CO)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2 ZINC000095595282 JG Annotated Anodyne COc1cccc(OC)c1-c1cnnc(NCc2nc3cc(OCC(=O)O)ccc3s2)n1 ZINC000095595738 JG Annotated Anodyne Cc1cnc(-c2ccnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)s1 ZINC000095595746 JG Annotated Anodyne C[C@@H]1CN(C(=O)C(=O)c2c[nH]c3c(-c4nccs4)ccnc23)CCN1C(=O)c1ccccc1 ZINC000095595997 JG Annotated Anodyne Cc1c(Oc2ccc(-n3cnnn3)cc2F)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)C ZINC000095596081 JG Annotated Anodyne COC1=C(c2ccc(Br)cc2)C(=O)O[C@@H]1[C@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095596181 JG Annotated Anodyne COC1=C(c2ccc(Br)cc2)C(=O)O[C@H]1[C@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095596182 JG Annotated Anodyne COC1=C(c2ccc(Br)cc2)C(=O)O[C@@H]1[C@@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095596183 JG Annotated Anodyne COC1=C(c2ccc(Br)cc2)C(=O)O[C@H]1[C@@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095596184 JG Annotated Anodyne Cc1csc(-c2ccnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)n1 ZINC000095596934 JG Annotated Anodyne CN(CCC[C@]1(O)[C@H]2CCN(CCF)[C@@H]1Cc1ccc(O)c(O)c12)C(=O)/C=C/c1ccoc1 ZINC000095597057 JG Annotated Clean O=C(NC(CO)CO)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2 ZINC000095597524 JG Annotated Anodyne CN(CCC[C@]1(O)[C@H]2CCN(CC(F)F)[C@@H]1Cc1ccc(O)c(O)c12)C(=O)/C=C/c1ccoc1 ZINC000095597556 JG Annotated Clean CCCN1CC[C@H]2c3c(ccc(O)c3O)C[C@@H]1[C@]2(O)CCCN(C)C(=O)/C=C/c1ccoc1 ZINC000095598331 JG Annotated Clean CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095598702 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095598930 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(OC)c4)cc3C(=O)N2C)O1 ZINC000095598945 JG Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCOCC3)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2 ZINC000095598963 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(F)cc2)O1)NCc1ccccc1Cl ZINC000095598990 JG Annotated Anodyne CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095599051 JG Annotated Mild CC(C)NC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)O[C@@H]1CO ZINC000095599113 JG Annotated Anodyne C[C@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000095599176 JG Annotated Anodyne C[C@@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000095599177 JG Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1CC[C@H](CCn2cc(-c3ccccc3OC)nn2)O[C@H]1CO ZINC000095599195 JG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095599261 JG Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CC(C)C)cc4)[C@H]3C2)cc1 ZINC000095599312 JG Annotated Mild Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)Nc2cccc(Cl)c2)[C@@H](CO)O1 ZINC000095599335 JG Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095599375 JG Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccc(F)cc1 ZINC000095599498 JG Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccc(F)cc1 ZINC000095599499 JG Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@@H](CCn3cc(-c4ccc(OC)cc4)nn3)O[C@@H]2CO)cc1 ZINC000095599554 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095599565 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(Cl)cc1 ZINC000095599581 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095599614 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C#N)cc4)cc3C(=O)N2C)O1 ZINC000095599651 JG Annotated Mild COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C#N)cc4)cc3C(=O)N2C)O1 ZINC000095599652 JG Annotated Mild COc1ccc(CN2C(=O)c3ccccc3[C@H]2c2nnnn2-c2ccc3c(c2)OCCO3)cc1OC ZINC000095599733 JG Annotated Anodyne COc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2-c2ccc3c(c2)OCCO3)cc1OC ZINC000095599734 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095599737 JG Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3OC)nn2)O[C@@H]1CO ZINC000095599757 JG Annotated Anodyne CC(C)(C)OC(=O)Nc1ccccc1-n1nnnc1[C@@H](C(=O)c1ccc(F)cc1)N1CCOCC1 ZINC000095599779 JG Annotated Anodyne CC(C)(C)OC(=O)Nc1ccccc1-n1nnnc1[C@H](C(=O)c1ccc(F)cc1)N1CCOCC1 ZINC000095599780 JG Annotated Anodyne CCc1ccc([C@H]2[C@@H]3C(=O)C[C@@H]4C(=O)N(CC)C(=O)[C@@H]4[C@@H]3CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095599891 JG Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000095599921 JG Annotated Anodyne CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095599961 JG Annotated Mild O=C1c2c(-c3ccc(Br)cc3)noc2CCN1Cc1cn(Cc2cccnc2)nn1 ZINC000095600018 JG Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1CCc1ccccc1F ZINC000095600065 JG Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1CCc1ccccc1F ZINC000095600066 JG Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCCc2ccccn2)C(=O)N1CCC1=CCCCC1 ZINC000095600087 JG Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCCc2ccccn2)C(=O)N1CCC1=CCCCC1 ZINC000095600088 JG Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc12)N1CCN(CC(=O)NC(C)C)CC1 ZINC000095600149 JG Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc12)N1CCN(CC(=O)NC(C)C)CC1 ZINC000095600150 JG Annotated Anodyne CO[C@H]1/C=C\CC/C=C\C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)/C(C)=C\[C@@H](C)[C@@H]1O ZINC000095600157 JG Annotated Anodyne CO[C@H]1/C=C\CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)/C(C)=C\[C@@H](C)[C@@H]1O ZINC000095600159 JG Annotated Anodyne Cc1cc2c(cc1C)-n1nnnc1[C@H](N1CCN(c3ccccn3)CC1)C(c1ccc3c(c1)OCO3)=N2 ZINC000095600186 JG Annotated Anodyne Cc1cc2c(cc1C)-n1nnnc1[C@@H](N1CCN(c3ccccn3)CC1)C(c1ccc3c(c1)OCO3)=N2 ZINC000095600187 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095600192 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(C#N)cc4)cc3C(=O)N2C)O1 ZINC000095600219 JG Annotated Mild COc1ccc(N2C(=O)c3ccccc3NC(=O)[C@H]2C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000095600244 JG Annotated Anodyne COc1ccc(N2C(=O)c3ccccc3NC(=O)[C@@H]2C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000095600245 JG Annotated Anodyne CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095600378 JG Annotated Mild O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1CCOc1ccccc1 ZINC000095600499 JG Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1CCOc1ccccc1 ZINC000095600500 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(C#N)cc4)cc3C(=O)N2C)O1 ZINC000095600580 JG Annotated Mild COc1ccccc1NC(=O)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3OC)nn2)O[C@@H]1CO ZINC000095600623 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095600755 JG Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000095600793 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1cccnc1)[C@@H](C)CO2 ZINC000095600851 JG Annotated Anodyne CCN(CC)CCN(C)[C@@H](c1ccnc2ccccc12)c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000095600907 JG Annotated Anodyne CCN(CC)CCN(C)[C@H](c1ccnc2ccccc12)c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000095600908 JG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(C#CC(C)C)cc2)[C@@H]3CO)cc1 ZINC000095600948 JG Annotated Mild O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(F)cc2)O1)NCc1ccccc1Cl ZINC000095600988 JG Annotated Anodyne COc1ccc(-c2cn(CC[C@@H]3CC[C@@H](NC(=O)Nc4ccc(F)cc4)[C@H](CO)O3)nn2)cc1 ZINC000095601319 JG Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000095601334 JG Annotated Anodyne O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@@H]2[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H](CO)N12 ZINC000095601595 JG Annotated Mild COc1ccc(-c2cn(CC[C@@H]3CC[C@H](NC(=O)Nc4ccc(F)cc4)[C@H](CO)O3)nn2)cc1 ZINC000095601961 JG Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000095602058 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3F)O[C@@H]1CO2 ZINC000095602300 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095602322 JG Annotated Anodyne O=S(=O)(c1cc(Cl)cc(Cl)c1)N1Cc2cc(N3CCOCC3)ccc2-n2nncc2C1 ZINC000095602384 JG Annotated Clean C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000095602388 JG Annotated Mild CCCCCCCCCCSc1nc(N)nc2c1ncn2CC(=O)N[C@H](C)C(=O)OC ZINC000095602442 JG Annotated Mild O=S1(=O)N[C@H](Cc2ccccc2)COc2cc(N3CCN(Cc4ccccc4F)CC3)ccc21 ZINC000095602664 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1cccnc1)[C@H](C)CO2 ZINC000095602741 JG Annotated Anodyne CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095602747 JG Annotated Mild COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095603347 JG Annotated Anodyne CO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(F)cc1 ZINC000095603446 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1cccc(F)c1 ZINC000095603463 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO ZINC000095603689 JG Annotated Anodyne COc1ccc(-c2cn(CC[C@H]3CC[C@H](NC(=O)Nc4ccc(F)cc4)[C@@H](CO)O3)nn2)cc1 ZINC000095603793 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095604017 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Cl)cc2)O1)NCCc1ccccc1 ZINC000095604031 JG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CC(C)C)cc4)[C@H]3C2)cc1 ZINC000095604041 JG Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C#CC(C)C)cc2)[C@@H]3CO)cc1 ZINC000095604313 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095604570 JG Annotated Mild COc1ccc(N2C(=O)c3ccccc3NC(=O)[C@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000095604618 JG Annotated Anodyne COc1ccc(N2C(=O)c3ccccc3NC(=O)[C@@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000095604619 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095604631 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095604878 JG Annotated Anodyne CCCCCCCCCCSc1nc(N)nc2c1ncn2CC(=O)N[C@@H](C)C(=O)OC ZINC000095605061 JG Annotated Mild CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@H]1CO2 ZINC000095605199 JG Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)c1ccccc1 ZINC000095605377 JG Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095605426 JG Annotated Mild CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095605690 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095605718 JG Annotated Anodyne COc1ccc(CN2C(=O)c3ccccc3[C@H]2c2nnnn2-c2ccc3c(c2)OCCO3)cc1 ZINC000095605724 JG Annotated Anodyne COc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2-c2ccc3c(c2)OCCO3)cc1 ZINC000095605725 JG Annotated Anodyne CS(=O)(=O)N1Cc2cc(C(=O)NCC3CC3)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO ZINC000095605773 JG Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccc(F)cc1 ZINC000095605774 JG Annotated Anodyne CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000095636437 JG Annotated Anodyne in-vitro CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000095636438 JG Annotated Anodyne in-vitro CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000095636439 JG Annotated Anodyne in-vitro CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000095636440 JG Annotated Anodyne in-vitro CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095660966 JG Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@H](C)[C@@H](CN(C)C(=O)OC(C)(C)C)O2 ZINC000095660988 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095661258 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)Cc1ccccn1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095661267 JG Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@@H](C)[C@@H](CN(C)C(=O)OC(C)(C)C)O2 ZINC000095661449 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1nccs1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095661451 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095661466 JG Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H]1C ZINC000095661491 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CN(Cc2ccncc2)C1 ZINC000095661507 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095661511 JG Annotated Anodyne COC(=O)c1ccc(CN2CC(=O)N3[C@H](CO)[C@@H](c4ccc(-c5ccccc5)cc4)[C@H]3C2)cc1 ZINC000095661550 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccccc1F)CC31CN(C(=O)C2CC2)C1 ZINC000095661568 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cccnc1)CC31CN(Cc2cccnc2)C1 ZINC000095661591 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095661643 JG Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)CC1CC1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095661669 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095661757 JG Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(C(=O)c1ccccn1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095661776 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095661931 JG Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@@H](C)[C@H](CN(C)C(=O)OC(C)(C)C)O2 ZINC000095662018 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1Cl)CC31CN(C(C)=O)C1 ZINC000095662042 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CCOCC1)CC31CN(Cc2nccs2)C1 ZINC000095662179 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1OC)CC31CN(C(=O)C2CC2)C1 ZINC000095662434 JG Annotated Anodyne CCCC(=O)N1CC2(CCN(C(=O)NC(C)C)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095662439 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC3CCCCC3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095662586 JG Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)Nc1c(C)noc1C)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095662726 JG Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)CC1CC1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095662795 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccccn1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095662826 JG Annotated Anodyne COC(=O)c1ccc(CN2CC(=O)N3[C@@H](CO)[C@H](c4ccc(-c5ccc(OC)cc5)cc4)[C@@H]3C2)cc1 ZINC000095662852 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cncnc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095662860 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)c2ccncc2)CC1 ZINC000095662956 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CCN(Cc2cncnc2)CC1 ZINC000095663033 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CCN(S(C)(=O)=O)CC1 ZINC000095663106 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095663176 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCc1ccccc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095663318 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CCN(C(=O)C2CC2)CC1 ZINC000095663397 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)Cc1cccnc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095663409 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CN(C(=O)C2CCOCC2)C1 ZINC000095663553 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1c(C)noc1C)CC31CN(CC2CC2)C1 ZINC000095663618 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1c(C)noc1C)CC31CN(CC2CC2)C1 ZINC000095663626 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccccn1)CC31CN(C(=O)C2CCCCC2)C1 ZINC000095663770 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1cccc(F)c1)CC31CCN(C(C)=O)CC1 ZINC000095663786 JG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(S(=O)(=O)Cc3ccccc3)C23CN(C(=O)C2CC2)C3)cc1 ZINC000095663906 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)C(=O)CCN(C)C ZINC000095663915 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CCN(C(=O)c2ccncc2)CC1 ZINC000095663966 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CN(Cc2ccc(Cl)cc2)C1 ZINC000095664030 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1cccc(F)c1)CC31CCN(C(C)=O)CC1 ZINC000095664072 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccc(F)cc2)C1 ZINC000095664147 JG Annotated Anodyne COC(=O)c1ccc(CN2CC(=O)N3[C@@H](CO)[C@H](c4ccc(-c5ccccc5)cc4)[C@@H]3C2)cc1 ZINC000095664258 JG Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095664350 JG Annotated Mild COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCCC1)CC31CN(C(=O)c2ccncc2)C1 ZINC000095664408 JG Annotated Anodyne COC(=O)c1ccc(CN2CC(=O)N3[C@H](CO)[C@H](c4ccc(-c5ccccc5)cc4)[C@@H]3C2)cc1 ZINC000095664468 JG Annotated Anodyne COC(=O)c1ccc(CN2CC(=O)N3[C@H](CO)[C@H](c4ccc(-c5ccccc5)cc4)[C@H]3C2)cc1 ZINC000095664723 JG Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095664763 JG Annotated Mild Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)Nc3ccc(Cl)cc3)O[C@@H]2CO)cc1 ZINC000095664785 JG Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC(C)C)cc3)[C@@H]2C1 ZINC000095664810 JG Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4cc(F)ccc4F)C[C@H]23)cc1 ZINC000095664832 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC(C)C)cc3)[C@@H]2C1 ZINC000095664842 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC(C)C)cc1)[C@@H]2CO ZINC000095664844 JG Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Nc4cc(F)ccc4F)CC(=O)N3[C@H]2CO)cc1 ZINC000095664847 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC(C)C)cc3)[C@H]2C1 ZINC000095664865 JG Annotated Mild COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CN(C)C)CC31CN(Cc2ccccc2Cl)C1 ZINC000095664883 JG Annotated Anodyne CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4cc(F)ccc4F)C[C@H]23)cc1 ZINC000095664915 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC(C)C)cc3)[C@H]2C1 ZINC000095664919 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC(C)C)cc3)[C@@H]2C1 ZINC000095664928 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCC(C)C)cc1)[C@@H]2CO ZINC000095664939 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCC(C)C)cc3)[C@@H]2C1 ZINC000095664981 JG Annotated Mild COCC(=O)N1CC2(CN(Cc3ccccc3Cl)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095665082 JG Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@H](C)[C@H](CN(C)C(=O)OC(C)(C)C)O2 ZINC000095665116 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095665342 JG Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095665344 JG Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095665346 JG Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095665348 JG Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095665350 JG Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095665354 JG Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095665356 JG Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095665359 JG Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)C5CC5)C[C@@H]34)cc2)c1 ZINC000095665474 JG Annotated Anodyne CC(C)N1C[C@@H](CN(C)Cc2ccc(Cl)cc2)Oc2c(NC(=O)c3ncn[nH]3)cccc2C1=O ZINC000095665581 JG Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)C3CCC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095665753 JG Annotated Anodyne C[C@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]2N1C)c1ccccc1 ZINC000095665784 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CCN(C(=O)c2ccncc2)CC1 ZINC000095665816 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CCN(C(=O)c2ccncc2)CC1 ZINC000095665818 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CN(Cc2cccc(F)c2)C1 ZINC000095665820 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CN(Cc2cccc(F)c2)C1 ZINC000095665823 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095665830 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095665833 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CN(C(=O)C2CCC2)C1 ZINC000095665835 JG Annotated Anodyne C[C@@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]2N1C)c1ccccc1 ZINC000095665851 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccccn1)CC31CN(C(=O)C2CCCC2)C1 ZINC000095665859 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccncc1)CC31CN(C(=O)C2CCC2)C1 ZINC000095665879 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CN(Cc2nccs2)C1 ZINC000095665881 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CCCC1)CC31CCN(C(=O)CN(C)C)CC1 ZINC000095665899 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CCCC1)CC31CCN(C(=O)CN(C)C)CC1 ZINC000095665900 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CN(C)C)CC31CCN(CC2CCCC2)CC1 ZINC000095665904 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CN(C)C)CC31CCN(CC2CCCC2)CC1 ZINC000095665906 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1nccs1)CC31CN(C(=O)C2CCCC2)C1 ZINC000095665908 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1nccs1)CC31CN(C(=O)C2CCCC2)C1 ZINC000095665911 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CN(Cc2nccs2)C1 ZINC000095665971 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CN(Cc2nccs2)C1 ZINC000095665973 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CN(C(=O)C2CCCC2)C1 ZINC000095665979 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccncc1)CC31CN(C(=O)C2CCCC2)C1 ZINC000095665981 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CN(Cc2nccs2)C1 ZINC000095665985 JG Annotated Anodyne COc1ccc(CN2CC3(CN(C(=O)C4CC4)C3)c3c(n(C)c4cc(OC)ccc34)[C@@H]2CO)cc1 ZINC000095665990 JG Annotated Anodyne COc1ccc(-c2cn(CC[C@H]3CC[C@@H](NC(=O)Nc4ccc(F)cc4)[C@H](CO)O3)nn2)cc1 ZINC000095666040 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095666046 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CN(C(=O)C2CC2)C1 ZINC000095666067 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CN(C(=O)C2CC2)C1 ZINC000095666069 JG Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Cc2cccnc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095666113 JG Annotated Anodyne CN(C)CC(=O)N[C@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccc(F)cc2)cc1 ZINC000095666119 JG Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@@H](c2ccc(C#CC4CCCC4)cc2)[C@@H]3CO)c1 ZINC000095666125 JG Annotated Mild CCCNC(=O)N1CC2(CN(C(=O)C3CCCCC3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095666151 JG Annotated Anodyne CCCNC(=O)N1CC2(CN(C(=O)C3CCCCC3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095666153 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Cc1ccccn1)CC31CCN(CC2CC2)CC1 ZINC000095666157 JG Annotated Anodyne COc1ccc(-c2cn(CC[C@@H]3CC[C@H](NC(=O)Nc4ccc(F)cc4)[C@@H](CO)O3)nn2)cc1 ZINC000095666211 JG Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2Cc1ccccc1OC ZINC000095666218 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095666222 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CN(C(=O)c2ccncc2)C1 ZINC000095666247 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CN(C(=O)c2ccncc2)C1 ZINC000095666249 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3ccccc3F)CC[C@H]21 ZINC000095666352 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Cc1ccccn1)CC31CN(CC2CCCC2)C1 ZINC000095666378 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(S(C)(=O)=O)CC31CCN(CC2CCCC2)CC1 ZINC000095666383 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CCN(C(=O)C2CC2)CC1 ZINC000095666387 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CCN(C(=O)C2CC2)CC1 ZINC000095666388 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1nccs1)CC31CCN(C(=O)C2CC2)CC1 ZINC000095666404 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(C(=O)C2CC2)CC1 ZINC000095666406 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CCN(Cc2nccs2)CC1 ZINC000095666408 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CCN(Cc2nccs2)CC1 ZINC000095666410 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095666433 JG Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)C1CC1)c1ccccc1 ZINC000095666447 JG Annotated Anodyne CS(=O)(=O)N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccccc2F)cc1 ZINC000095666457 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCCC1)CC31CN(C(=O)NC(C)C)C1 ZINC000095666474 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCCC1)CC31CN(C(=O)NC(C)C)C1 ZINC000095666478 JG Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1OC ZINC000095666502 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095666510 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CCN(CC2CCCC2)CC1 ZINC000095666522 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccccn1)CC31CCN(C(=O)C2CCC2)CC1 ZINC000095666539 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095666548 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CCN(CC2CCCCC2)CC1 ZINC000095666568 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(S(C)(=O)=O)CC31CCN(CC2CCCCC2)CC1 ZINC000095666570 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccccn1)CC31CCN(C(=O)C2CCC2)CC1 ZINC000095666579 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CN(C(=O)Nc2cccc(F)c2)C1 ZINC000095666584 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CN(C(=O)Nc2cccc(F)c2)C1 ZINC000095666585 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CCN(C(=O)c2ccncc2)CC1 ZINC000095666592 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CCN(C(=O)c2ccncc2)CC1 ZINC000095666594 JG Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]2N1C)c1ccccc1 ZINC000095666606 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CCN(CC2CC2)CC1 ZINC000095666666 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CCN(CC2CC2)CC1 ZINC000095666668 JG Annotated Anodyne CCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1Cc2ccccc2C1 ZINC000095666774 JG Annotated Anodyne CCCNC(=O)N1CC2(CN(CC3CCCC3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095666777 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccccn1)CC31CN(C(=O)C2CCCC2)C1 ZINC000095666779 JG Annotated Anodyne CS(=O)(=O)N1Cc2cc(C(=O)O)nc(-c3cccc(-c4ccccc4F)c3)c2[C@@H]1CCO ZINC000095667208 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3cccc(F)c3)O[C@@H]1CO2 ZINC000095668466 JG Annotated Anodyne CS(=O)(=O)N1Cc2cc(C(=O)O)nc(-c3cccc(-c4ccccc4F)c3)c2[C@H]1CCO ZINC000095668537 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@H](C)NC[C@H](C)[C@@H](OC)CN(C)C3=O)cc1 ZINC000095668597 JG Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095668777 JG Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(C#CC5CCCC5)cc4)[C@@H]3C2)c1 ZINC000095668825 JG Annotated Mild CCN1[C@H](C(=O)Nc2nccs2)[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]21 ZINC000095668842 JG Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)Nc2cccc(Cl)c2)[C@H](CO)O1 ZINC000095675478 JG Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@H](NC(=O)Nc2cccc(Cl)c2)[C@@H](CO)O1 ZINC000095675479 JG Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@H](NC(=O)Nc2cccc(Cl)c2)[C@@H](CO)O1 ZINC000095675480 JG Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@H](NC(=O)Nc2cccc(Cl)c2)[C@H](CO)O1 ZINC000095675481 JG Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@@H](NC(=O)Nc2cccc(Cl)c2)[C@H](CO)O1 ZINC000095675482 JG Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@@H](NC(=O)Nc2cccc(Cl)c2)[C@@H](CO)O1 ZINC000095675483 JG Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)Nc2cccc(Cl)c2)[C@@H](CO)O1 ZINC000095675484 JG Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)O[C@H]1CO ZINC000095675504 JG Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)O[C@H]1CO ZINC000095675505 JG Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)O[C@@H]1CO ZINC000095675506 JG Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)O[C@H]1CO ZINC000095675507 JG Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)O[C@@H]1CO ZINC000095675508 JG Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)O[C@H]1CO ZINC000095675509 JG Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)O[C@@H]1CO ZINC000095675510 JG Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2ccc(Cl)c(Cl)c2)O[C@H]1CO ZINC000095675727 JG Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@H](CC(=O)NCc2ccc(Cl)c(Cl)c2)O[C@@H]1CO ZINC000095675728 JG Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccc(Cl)c(Cl)c2)O[C@H]1CO ZINC000095675729 JG Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccc(Cl)c(Cl)c2)O[C@@H]1CO ZINC000095675730 JG Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccc(Cl)c(Cl)c2)O[C@H]1CO ZINC000095675731 JG Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@H](CC(=O)NCc2ccc(Cl)c(Cl)c2)O[C@H]1CO ZINC000095675732 JG Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2ccc(Cl)c(Cl)c2)O[C@@H]1CO ZINC000095675733 JG Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095676325 JG Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095676326 JG Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095676327 JG Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095676328 JG Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095676329 JG Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095676330 JG Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095676331 JG Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095676333 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095677262 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095677263 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095677264 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Cc2cccnc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095677265 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095677266 JG Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Cc2cccnc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095677267 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095677268 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)C(=O)CCN(C)C ZINC000095678800 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)CCN(C)C)OCc2ccccc2-c2ccccc2C1=O ZINC000095678801 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)C(=O)CCN(C)C ZINC000095678802 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)C(=O)CCN(C)C ZINC000095678803 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095679270 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095679271 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095679272 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095679273 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095679274 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095679275 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095679276 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095679277 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)C1CCC1)[C@@H](C)CO2 ZINC000095679337 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)C1CCC1)[C@H](C)CO2 ZINC000095679338 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)C1CCC1)[C@@H](C)CO2 ZINC000095679339 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)C1CCC1)[C@H](C)CO2 ZINC000095679340 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)C1CCC1)[C@@H](C)CO2 ZINC000095679341 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)C1CCC1)[C@@H](C)CO2 ZINC000095679343 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)C1CCC1)[C@H](C)CO2 ZINC000095679345 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)C1CCC1)[C@H](C)CO2 ZINC000095679346 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095679419 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095679420 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095679421 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095679422 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095679423 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095679424 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095679425 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095679429 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095679430 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095679431 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095679432 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095679433 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095679434 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095679435 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095679436 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095679452 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095679453 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095679455 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095679457 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095679459 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095679460 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095679461 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095679462 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095679509 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095679510 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095679511 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095679513 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095679514 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095679515 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095679516 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CC2CCOCC2)C[C@H]1C ZINC000095679517 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(CC2CCOCC2)C[C@@H]1C ZINC000095679518 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CC2CCOCC2)C[C@@H]1C ZINC000095679519 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(CC2CCOCC2)C[C@@H]1C ZINC000095679520 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CC2CCOCC2)C[C@@H]1C ZINC000095679522 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(CC2CCOCC2)C[C@H]1C ZINC000095679524 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CC2CCOCC2)C[C@H]1C ZINC000095679526 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(CC2CCOCC2)C[C@H]1C ZINC000095679527 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095679591 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095679592 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095679593 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095679594 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095679595 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095679597 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095679599 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095679601 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095679603 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095679605 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095679606 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095679607 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095679608 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095679609 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095679610 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095679612 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095679664 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095679665 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095679667 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095679668 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095679669 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095679670 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095679671 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095679690 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095679691 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095679692 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095679693 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095679694 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095679696 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095679698 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095679699 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095679716 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095679717 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095679718 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095679719 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095679720 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095679721 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095679722 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095679724 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095679726 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2OC[C@H](C)NC[C@H]1C ZINC000095680086 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095680139 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)Cc1ccccn1)[C@@H](C)CO2 ZINC000095680309 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)Cc1ccccn1)[C@H](C)CO2 ZINC000095680311 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)Cc1ccccn1)[C@@H](C)CO2 ZINC000095680313 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)Cc1ccccn1)[C@H](C)CO2 ZINC000095680315 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)Cc1ccccn1)[C@@H](C)CO2 ZINC000095680318 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)Cc1ccccn1)[C@H](C)CO2 ZINC000095680319 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)Cc1ccccn1)[C@@H](C)CO2 ZINC000095680320 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)Cc1ccccn1)[C@H](C)CO2 ZINC000095680321 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)c1cccnc1)[C@@H](C)CO2 ZINC000095680466 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1cccnc1)[C@H](C)CO2 ZINC000095680467 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1cccnc1)[C@@H](C)CO2 ZINC000095680469 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)c1cccnc1)[C@H](C)CO2 ZINC000095680470 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cncnc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680476 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cncnc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680478 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cncnc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680479 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cncnc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680480 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cncnc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680481 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cncnc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680482 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cncnc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680483 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095680594 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095680596 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095680598 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095680599 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095680600 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095680601 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095680602 JG Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)CCC)cc2OC[C@@H]1C ZINC000095680612 JG Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CCC)cc2OC[C@H]1C ZINC000095680614 JG Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)CCC)cc2OC[C@H]1C ZINC000095680615 JG Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)CCC)cc2OC[C@H]1C ZINC000095680617 JG Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CCC)cc2OC[C@@H]1C ZINC000095680618 JG Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)CCC)cc2OC[C@@H]1C ZINC000095680619 JG Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CCC)cc2OC[C@H]1C ZINC000095680620 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)Cc1cccnc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680665 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)Cc1cccnc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680668 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)Cc1cccnc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680669 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)Cc1cccnc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680671 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)Cc1cccnc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680673 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)Cc1cccnc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680675 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)Cc1cccnc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680676 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095680755 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095680756 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095680757 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095680759 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095680761 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095680762 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095680763 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095680764 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccnc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680785 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccnc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680786 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccnc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680787 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccnc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680788 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccnc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680789 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccnc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680790 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccnc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680791 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccccn1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680792 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccccn1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680793 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccccn1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680794 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccccn1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680795 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccccn1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680797 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccccn1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680798 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccccn1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680799 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccccn1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680800 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1cccnc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680899 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1cccnc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680900 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1cccnc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680901 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccn1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680976 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccn1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680977 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccn1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680978 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccn1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680979 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccn1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680980 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccn1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680981 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccn1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680982 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccn1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680983 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)c2cccnc2)C[C@H]1C ZINC000095680992 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)c2cccnc2)C[C@@H]1C ZINC000095680993 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)c2cccnc2)C[C@@H]1C ZINC000095680994 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)c2cccnc2)C[C@@H]1C ZINC000095680996 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)c2cccnc2)C[C@H]1C ZINC000095680998 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095681050 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095681052 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095681053 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095681054 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095681055 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095681056 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095681057 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)c1ccccn1)[C@@H](C)CO2 ZINC000095681067 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1ccccn1)[C@H](C)CO2 ZINC000095681068 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1ccccn1)[C@@H](C)CO2 ZINC000095681069 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1ccccn1)[C@H](C)CO2 ZINC000095681071 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1ccccn1)[C@@H](C)CO2 ZINC000095681073 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1ccccn1)[C@H](C)CO2 ZINC000095681075 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1ccccn1)[C@@H](C)CO2 ZINC000095681077 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)c1ccccn1)[C@H](C)CO2 ZINC000095681078 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cncnc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095681115 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cncnc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095681116 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cncnc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095681117 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cncnc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095681119 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cncnc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095681120 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cncnc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095681122 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1nccs1)[C@@H](C)CO2 ZINC000095686758 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1nccs1)[C@H](C)CO2 ZINC000095686759 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1nccs1)[C@@H](C)CO2 ZINC000095686760 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1nccs1)[C@H](C)CO2 ZINC000095686761 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1nccs1)[C@@H](C)CO2 ZINC000095686762 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1nccs1)[C@H](C)CO2 ZINC000095686763 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1nccs1)[C@@H](C)CO2 ZINC000095686764 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095686790 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095686791 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095686792 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095686793 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095686794 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095686795 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095686796 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095686797 JG Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H]1C ZINC000095686893 JG Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H]1C ZINC000095686894 JG Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H]1C ZINC000095686895 JG Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H]1C ZINC000095686896 JG Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H]1C ZINC000095686897 JG Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H]1C ZINC000095686898 JG Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H]1C ZINC000095686899 JG Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H]1C ZINC000095686900 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(Cc2cncnc2)C[C@H]1C ZINC000095686953 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(Cc2cncnc2)C[C@@H]1C ZINC000095686954 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(Cc2cncnc2)C[C@@H]1C ZINC000095686955 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(Cc2cncnc2)C[C@@H]1C ZINC000095686956 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(Cc2cncnc2)C[C@H]1C ZINC000095686957 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(Cc2cncnc2)C[C@@H]1C ZINC000095686958 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(Cc2cncnc2)C[C@H]1C ZINC000095686959 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(Cc2cncnc2)C[C@H]1C ZINC000095686960 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095686992 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095686993 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095686994 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095686995 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095686996 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095686997 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095686998 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095687037 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095687038 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095687039 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095687040 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095687041 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095687042 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095687043 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095687044 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccncc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687065 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccncc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687066 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccncc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687067 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccncc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687068 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccncc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687069 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccncc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687070 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccncc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687071 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095687102 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095687103 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095687104 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095687105 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095687106 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095687107 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095687108 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccccc2C(=O)O)C[C@H]1C ZINC000095687115 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccccc2C(=O)O)C[C@@H]1C ZINC000095687116 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccccc2C(=O)O)C[C@@H]1C ZINC000095687117 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccccc2C(=O)O)C[C@@H]1C ZINC000095687118 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccccc2C(=O)O)C[C@H]1C ZINC000095687119 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccccc2C(=O)O)C[C@@H]1C ZINC000095687120 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccccc2C(=O)O)C[C@H]1C ZINC000095687121 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCOCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687142 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCOCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687143 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCOCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687144 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCOCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687145 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCOCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687146 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCOCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687147 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CCOCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687148 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccncc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687167 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccncc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687168 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccncc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687169 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccncc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687170 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccncc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687171 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccncc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687172 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccncc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687173 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCc1ccccc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687194 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCc1ccccc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687195 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCc1ccccc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687196 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCc1ccccc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687197 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCc1ccccc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687198 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCc1ccccc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687199 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCc1ccccc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687200 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@H](C)NC[C@H]1C ZINC000095687217 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687218 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095687219 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687220 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@H](C)NC[C@H]1C ZINC000095687221 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095687222 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095687223 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095687224 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)c1ccncc1)[C@@H](C)CO2 ZINC000095687304 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1ccncc1)[C@H](C)CO2 ZINC000095687305 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)c1ccncc1)[C@H](C)CO2 ZINC000095687306 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1ccncc1)[C@@H](C)CO2 ZINC000095687307 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1ccncc1)[C@H](C)CO2 ZINC000095687308 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1ccncc1)[C@@H](C)CO2 ZINC000095687309 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1ccncc1)[C@H](C)CO2 ZINC000095687310 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1ccncc1)[C@@H](C)CO2 ZINC000095687311 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CCC(F)(F)F)[C@@H](C)CO2 ZINC000095687322 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CCC(F)(F)F)[C@H](C)CO2 ZINC000095687323 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CCC(F)(F)F)[C@H](C)CO2 ZINC000095687324 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CCC(F)(F)F)[C@@H](C)CO2 ZINC000095687325 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CCC(F)(F)F)[C@H](C)CO2 ZINC000095687326 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CCC(F)(F)F)[C@@H](C)CO2 ZINC000095687327 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CCC(F)(F)F)[C@H](C)CO2 ZINC000095687328 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CCC(F)(F)F)[C@@H](C)CO2 ZINC000095687329 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)c2ccncc2)C[C@H]1C ZINC000095687345 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)c2ccncc2)C[C@@H]1C ZINC000095687346 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)c2ccncc2)C[C@H]1C ZINC000095687347 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)c2ccncc2)C[C@@H]1C ZINC000095687348 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)c2ccncc2)C[C@@H]1C ZINC000095687349 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)c2ccncc2)C[C@@H]1C ZINC000095687350 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)c2ccncc2)C[C@H]1C ZINC000095687351 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095687373 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687374 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095687375 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687376 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095687377 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095687378 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095687379 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095687380 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095687416 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095687417 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095687418 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095687419 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095687420 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095687421 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095687461 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095687462 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095687463 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095687464 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095687465 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095687466 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095687467 JG Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H]1C ZINC000095687483 JG Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H]1C ZINC000095687484 JG Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H]1C ZINC000095687485 JG Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H]1C ZINC000095687486 JG Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H]1C ZINC000095687487 JG Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H]1C ZINC000095687488 JG Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H]1C ZINC000095687489 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(C(=O)C2CCC2)C[C@H]1C ZINC000095687506 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(C(=O)C2CCC2)C[C@@H]1C ZINC000095687507 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(C(=O)C2CCC2)C[C@H]1C ZINC000095687508 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(C(=O)C2CCC2)C[C@H]1C ZINC000095687509 JG Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687552 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OC[C@H](C)NC[C@H]1C ZINC000095687561 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687562 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095687563 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687564 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OC[C@H](C)NC[C@H]1C ZINC000095687565 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095687566 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095687567 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)NC2CCCCC2)C[C@H]1C ZINC000095687616 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095687648 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095687649 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095687650 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095687651 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095687652 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095687653 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095687654 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccc1)[C@@H](C)CO2 ZINC000095687662 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccc1)[C@H](C)CO2 ZINC000095687663 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccc1)[C@H](C)CO2 ZINC000095687664 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccc1)[C@@H](C)CO2 ZINC000095687665 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccc1)[C@H](C)CO2 ZINC000095687666 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccc1)[C@H](C)CO2 ZINC000095687667 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccc1)[C@@H](C)CO2 ZINC000095687668 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccc1)[C@@H](C)CO2 ZINC000095687669 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095687694 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095687695 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095687696 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095687697 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095687698 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095687699 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095687700 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095687701 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)Cc1cccnc1)[C@@H](C)CO2 ZINC000095687709 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)Cc1cccnc1)[C@H](C)CO2 ZINC000095687710 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)Cc1cccnc1)[C@@H](C)CO2 ZINC000095687711 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)Cc1cccnc1)[C@H](C)CO2 ZINC000095687712 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)Cc1cccnc1)[C@@H](C)CO2 ZINC000095687713 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)Cc1cccnc1)[C@H](C)CO2 ZINC000095687714 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)Cc1cccnc1)[C@@H](C)CO2 ZINC000095687715 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)Cc1cccnc1)[C@H](C)CO2 ZINC000095687716 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095687734 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095687735 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095687736 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095687737 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095687738 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095687739 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095687740 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095687741 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095687773 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095687774 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095687775 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095687776 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095687777 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095687778 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095687779 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095687780 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095687790 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095687791 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095687792 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095687793 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095687794 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095687795 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095687796 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)CC1CC1)[C@@H](C)CO2 ZINC000095687850 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)CC1CC1)[C@H](C)CO2 ZINC000095687851 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)CC1CC1)[C@H](C)CO2 ZINC000095687852 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)CC1CC1)[C@@H](C)CO2 ZINC000095687853 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)CC1CC1)[C@H](C)CO2 ZINC000095687854 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)CC1CC1)[C@@H](C)CO2 ZINC000095687855 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)CC1CC1)[C@H](C)CO2 ZINC000095687856 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)CC1CC1)[C@@H](C)CO2 ZINC000095687857 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(C)=O)[C@@H](C)CO3)cc1 ZINC000095687951 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(C)=O)[C@H](C)CO3)cc1 ZINC000095687952 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(C)=O)[C@@H](C)CO3)cc1 ZINC000095687953 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(C)=O)[C@H](C)CO3)cc1 ZINC000095687954 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(C)=O)[C@H](C)CO3)cc1 ZINC000095687955 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(C)=O)[C@@H](C)CO3)cc1 ZINC000095687956 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(C)=O)[C@@H](C)CO3)cc1 ZINC000095687957 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(C)=O)[C@H](C)CO3)cc1 ZINC000095687958 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)Cc1ccccn1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687972 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)Cc1ccccn1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687973 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)Cc1ccccn1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687974 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)Cc1ccccn1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687975 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)Cc1ccccn1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687976 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)Cc1ccccn1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687977 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)Cc1ccccn1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687978 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095687998 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095687999 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095688000 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095688001 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095688002 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095688003 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095688004 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095688005 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095688006 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095688007 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095688008 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095688009 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095688010 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095688011 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095688012 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095688013 JG Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@@H](C)CO3)c1 ZINC000095688078 JG Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@H](C)CO3)c1 ZINC000095688079 JG Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@@H](C)CO3)c1 ZINC000095688080 JG Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@H](C)CO3)c1 ZINC000095688081 JG Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@@H](C)CO3)c1 ZINC000095688082 JG Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@H](C)CO3)c1 ZINC000095688083 JG Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@@H](C)CO3)c1 ZINC000095688084 JG Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@H](C)CO3)c1 ZINC000095688085 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2ccc(F)cc2)C[C@H]1C ZINC000095688092 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095688093 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095688094 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2ccc(F)cc2)C[C@H]1C ZINC000095688095 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095688096 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000095688137 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000095688138 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000095688139 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000095688140 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000095688141 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000095688142 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000095688143 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000095688144 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3C)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688145 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3C)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688146 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3C)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688147 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3C)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688148 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3C)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688149 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3C)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688150 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3C)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688151 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3C)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688152 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@@H](C)CO3)cc1 ZINC000095688203 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@H](C)CO3)cc1 ZINC000095688204 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@@H](C)CO3)cc1 ZINC000095688205 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@H](C)CO3)cc1 ZINC000095688206 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@@H](C)CO3)cc1 ZINC000095688207 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@H](C)CO3)cc1 ZINC000095688208 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@@H](C)CO3)cc1 ZINC000095688209 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@H](C)CO3)cc1 ZINC000095688210 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccn1)[C@@H](C)CO2 ZINC000095688242 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccn1)[C@H](C)CO2 ZINC000095688243 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccn1)[C@@H](C)CO2 ZINC000095688244 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccn1)[C@H](C)CO2 ZINC000095688245 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccn1)[C@@H](C)CO2 ZINC000095688246 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccn1)[C@H](C)CO2 ZINC000095688247 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccn1)[C@@H](C)CO2 ZINC000095688248 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccn1)[C@H](C)CO2 ZINC000095688249 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688310 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccccn1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688332 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccccn1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688333 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccccn1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688334 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccccn1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688335 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccccn1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688336 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccccn1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688337 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095688353 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095688354 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095688355 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095688356 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095688357 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095688358 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095688359 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095688360 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688389 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688390 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688391 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688392 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688393 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688394 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688395 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@H](C)N(C)C[C@@H](C)[C@H](OC)CN(C)C3=O)cc1 ZINC000095688396 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@@H](C)N(C)C[C@H](C)[C@@H](OC)CN(C)C3=O)cc1 ZINC000095688397 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@@H](C)N(C)C[C@H](C)[C@H](OC)CN(C)C3=O)cc1 ZINC000095688398 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@H](C)N(C)C[C@@H](C)[C@@H](OC)CN(C)C3=O)cc1 ZINC000095688399 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@H](C)N(C)C[C@H](C)[C@H](OC)CN(C)C3=O)cc1 ZINC000095688400 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@@H](C)N(C)C[C@@H](C)[C@@H](OC)CN(C)C3=O)cc1 ZINC000095688401 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@@H](C)N(C)C[C@@H](C)[C@H](OC)CN(C)C3=O)cc1 ZINC000095688402 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688411 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688412 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688413 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688414 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688415 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688416 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688417 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688418 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)OC[C@H](C)NC[C@@H](C)[C@H](OC)CN(C)C3=O)cc1 ZINC000095688453 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)OC[C@@H](C)NC[C@H](C)[C@@H](OC)CN(C)C3=O)cc1 ZINC000095688454 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)OC[C@H](C)NC[C@@H](C)[C@@H](OC)CN(C)C3=O)cc1 ZINC000095688455 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)OC[C@H](C)NC[C@H](C)[C@H](OC)CN(C)C3=O)cc1 ZINC000095688456 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)OC[C@@H](C)NC[C@@H](C)[C@@H](OC)CN(C)C3=O)cc1 ZINC000095688457 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)OC[C@@H](C)NC[C@@H](C)[C@H](OC)CN(C)C3=O)cc1 ZINC000095688458 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095688507 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095688508 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095688509 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095688510 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095688511 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095688512 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095688513 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095688514 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccncc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688563 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccncc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688564 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccncc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688565 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccncc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688566 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccncc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688567 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccncc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688568 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccncc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688569 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)C1CCC1)[C@@H](C)CO2 ZINC000095688707 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)C1CCC1)[C@H](C)CO2 ZINC000095688708 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)C1CCC1)[C@@H](C)CO2 ZINC000095688709 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)C1CCC1)[C@H](C)CO2 ZINC000095688710 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)C1CCC1)[C@H](C)CO2 ZINC000095688711 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)C1CCC1)[C@@H](C)CO2 ZINC000095688712 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)C1CCC1)[C@@H](C)CO2 ZINC000095688713 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1cncnc1)[C@@H](C)CO2 ZINC000095688737 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1cncnc1)[C@H](C)CO2 ZINC000095688738 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1cncnc1)[C@H](C)CO2 ZINC000095688739 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1cncnc1)[C@@H](C)CO2 ZINC000095688740 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1cncnc1)[C@H](C)CO2 ZINC000095688741 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1cncnc1)[C@@H](C)CO2 ZINC000095688742 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1cncnc1)[C@H](C)CO2 ZINC000095688743 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)CC1CC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688815 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)CC1CC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688816 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)CC1CC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688817 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)CC1CC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688818 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)CC1CC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688819 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)CC1CC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688820 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)CC1CC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688821 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1cccnc1)[C@@H](C)CO2 ZINC000095688887 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1cccnc1)[C@H](C)CO2 ZINC000095688888 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1cccnc1)[C@H](C)CO2 ZINC000095688889 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1cccnc1)[C@@H](C)CO2 ZINC000095688890 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1cccnc1)[C@H](C)CO2 ZINC000095688891 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1cccnc1)[C@H](C)CO2 ZINC000095688892 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1cccnc1)[C@@H](C)CO2 ZINC000095688893 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1cccnc1)[C@@H](C)CO2 ZINC000095688894 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688913 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688914 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688915 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688916 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688917 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688918 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688919 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688920 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095688940 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095688941 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095688942 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095688943 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095688944 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095688945 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095688978 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095688979 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095688980 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095688981 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095688982 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095688985 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2ccccn2)C[C@@H]1C ZINC000095688987 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2ccccn2)C[C@H]1C ZINC000095688989 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2ccccc2C(=O)O)C[C@H]1C ZINC000095689008 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2ccccc2C(=O)O)C[C@@H]1C ZINC000095689010 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2ccccc2C(=O)O)C[C@H]1C ZINC000095689011 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2ccccc2C(=O)O)C[C@H]1C ZINC000095689013 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095689095 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689096 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689098 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095689100 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095689102 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689104 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689105 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095689245 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689247 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689249 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689252 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095689254 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095689256 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689258 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095689260 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095689262 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095689264 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095689266 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095689268 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095689270 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095689272 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095689274 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095689276 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689278 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095689281 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689282 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689285 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095689286 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095689289 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689291 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@H](C)N(C(C)=O)C[C@@H](C)[C@H](OC)CN(C)C3=O)cc1 ZINC000095689293 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@@H](C)N(C(C)=O)C[C@H](C)[C@@H](OC)CN(C)C3=O)cc1 ZINC000095689295 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@H](C)N(C(C)=O)C[C@H](C)[C@@H](OC)CN(C)C3=O)cc1 ZINC000095689296 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@@H](C)N(C(C)=O)C[C@H](C)[C@H](OC)CN(C)C3=O)cc1 ZINC000095689299 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@H](C)N(C(C)=O)C[C@@H](C)[C@@H](OC)CN(C)C3=O)cc1 ZINC000095689301 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@H](C)N(C(C)=O)C[C@H](C)[C@H](OC)CN(C)C3=O)cc1 ZINC000095689302 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@@H](C)N(C(C)=O)C[C@@H](C)[C@@H](OC)CN(C)C3=O)cc1 ZINC000095689304 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@@H](C)N(C(C)=O)C[C@@H](C)[C@H](OC)CN(C)C3=O)cc1 ZINC000095689307 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095689355 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095689357 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095689359 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095689361 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095689363 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095689365 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095689562 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095689564 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095689566 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095689568 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095689570 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095689572 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095689574 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095689576 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095689655 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095689657 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095689658 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095689661 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095689662 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095689665 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CC2CCOCC2)C[C@H]1C ZINC000095689760 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(CC2CCOCC2)C[C@@H]1C ZINC000095689762 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(CC2CCOCC2)C[C@@H]1C ZINC000095689764 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CC2CCOCC2)C[C@H]1C ZINC000095689766 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CC2CCOCC2)C[C@@H]1C ZINC000095689768 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(CC2CCOCC2)C[C@H]1C ZINC000095689770 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(CC2CCOCC2)C[C@H]1C ZINC000095689772 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095689786 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689788 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689790 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689792 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095689793 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689796 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095689797 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)c1cccnc1)[C@@H](C)CO2 ZINC000095689958 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1cccnc1)[C@H](C)CO2 ZINC000095689960 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1cccnc1)[C@@H](C)CO2 ZINC000095689962 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1cccnc1)[C@H](C)CO2 ZINC000095689963 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1cccnc1)[C@@H](C)CO2 ZINC000095689965 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095689998 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095690000 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095690002 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095690004 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095690006 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095690007 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095690009 JG Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)OC[C@H](C)NC[C@@H](C)[C@H](OC)CN(C)C3=O)c1 ZINC000095690102 JG Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)OC[C@@H](C)NC[C@H](C)[C@@H](OC)CN(C)C3=O)c1 ZINC000095690103 JG Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)OC[C@H](C)NC[C@@H](C)[C@@H](OC)CN(C)C3=O)c1 ZINC000095690105 JG Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)OC[C@@H](C)NC[C@@H](C)[C@H](OC)CN(C)C3=O)c1 ZINC000095690107 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@H](C)NC[C@@H](C)[C@H](OC)CN(C)C3=O)cc1 ZINC000095690109 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@@H](C)NC[C@H](C)[C@@H](OC)CN(C)C3=O)cc1 ZINC000095690111 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@@H](C)NC[C@H](C)[C@H](OC)CN(C)C3=O)cc1 ZINC000095690113 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@H](C)NC[C@@H](C)[C@@H](OC)CN(C)C3=O)cc1 ZINC000095690115 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@H](C)NC[C@H](C)[C@H](OC)CN(C)C3=O)cc1 ZINC000095690117 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@@H](C)NC[C@@H](C)[C@@H](OC)CN(C)C3=O)cc1 ZINC000095690119 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@@H](C)NC[C@@H](C)[C@H](OC)CN(C)C3=O)cc1 ZINC000095690121 JG Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CCCC1)[C@@H](C)CO2 ZINC000095690182 JG Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC1CCCC1)[C@H](C)CO2 ZINC000095690185 JG Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC1CCCC1)[C@@H](C)CO2 ZINC000095690187 JG Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CCCC1)[C@H](C)CO2 ZINC000095690189 JG Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CCCC1)[C@H](C)CO2 ZINC000095690191 JG Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CCCC1)[C@@H](C)CO2 ZINC000095690193 JG Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CCCC1)[C@@H](C)CO2 ZINC000095690195 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(Cc2cncnc2)C[C@H]1C ZINC000095690234 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(Cc2cncnc2)C[C@@H]1C ZINC000095690236 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(Cc2cncnc2)C[C@@H]1C ZINC000095690238 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(Cc2cncnc2)C[C@@H]1C ZINC000095690240 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(Cc2cncnc2)C[C@H]1C ZINC000095690242 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(Cc2cncnc2)C[C@H]1C ZINC000095690244 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(Cc2cncnc2)C[C@@H]1C ZINC000095690246 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(Cc2cncnc2)C[C@H]1C ZINC000095690248 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095690307 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095690309 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095690311 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095690313 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095690316 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095690318 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095690320 JG Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@@H]1C ZINC000095690378 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(Cc2cocn2)C[C@H]1C ZINC000095690503 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095690644 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095690697 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095690699 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095690702 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095690703 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095690706 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095690708 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(Cc2cccnc2)C[C@@H]1C ZINC000095690709 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@@H](C)CO3)cc1 ZINC000095690726 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@H](C)CO3)cc1 ZINC000095690728 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@@H](C)CO3)cc1 ZINC000095690730 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@H](C)CO3)cc1 ZINC000095690732 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@@H](C)CO3)cc1 ZINC000095690734 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@H](C)CO3)cc1 ZINC000095690736 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@@H](C)CO3)cc1 ZINC000095690738 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@H](C)CO3)cc1 ZINC000095690740 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CCOCC1)[C@@H](C)CO2 ZINC000095690771 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC1CCOCC1)[C@H](C)CO2 ZINC000095690773 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC1CCOCC1)[C@@H](C)CO2 ZINC000095690775 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CCOCC1)[C@H](C)CO2 ZINC000095690777 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CCOCC1)[C@@H](C)CO2 ZINC000095690780 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CCOCC1)[C@H](C)CO2 ZINC000095690781 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CCOCC1)[C@@H](C)CO2 ZINC000095690783 JG Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@@H](C)CO2 ZINC000095690816 JG Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@H](C)CO2 ZINC000095690820 JG Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@H](C)CO2 ZINC000095690831 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095690844 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)c2ccncc2)C[C@@H]1C ZINC000095690847 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095690875 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C)[C@H](C)CO3)cc1 ZINC000095690893 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095690901 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1nccs1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095690909 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095690917 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)c2ccncc2)C[C@H]1C ZINC000095690919 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)c2ccncc2)C[C@@H]1C ZINC000095690931 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1nccs1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095690955 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)c2ccncc2)C[C@H]1C ZINC000095690959 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C)[C@H](C)CO3)cc1 ZINC000095690971 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C)[C@H](C)CO3)cc1 ZINC000095690982 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C)[C@@H](C)CO3)cc1 ZINC000095690986 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095690990 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095690999 JG Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@@H](C)CO2 ZINC000095691012 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)c2ccncc2)C[C@H]1C ZINC000095691037 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccno3)cc2OC[C@H](C)N(C(=O)C2CCC2)C[C@H]1C ZINC000095691039 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1nccs1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691061 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095691072 JG Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@H](C)CO2 ZINC000095691094 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095691100 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095691106 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095691122 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@H]1C ZINC000095691125 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C)[C@H](C)CO3)cc1 ZINC000095691139 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095691144 JG Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@@H](C)CO2 ZINC000095691148 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095691157 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095691179 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095691181 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccno3)cc2OC[C@H](C)N(C(=O)C2CCC2)C[C@@H]1C ZINC000095691216 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095691217 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000095691223 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1nccs1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095691230 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095691263 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1nccs1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691267 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095691277 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C)[C@@H](C)CO3)cc1 ZINC000095691283 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1nccs1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691289 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095691323 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095691338 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095691343 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C)[C@@H](C)CO3)cc1 ZINC000095691347 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095691349 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)c2ccncc2)C[C@H]1C ZINC000095691384 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C)[C@@H](C)CO3)cc1 ZINC000095691392 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095691394 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095691395 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095691397 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095691399 JG Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@@H](C)CO2 ZINC000095691403 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095691405 JG Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H]1C ZINC000095691421 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC(F)(F)F)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691438 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCC(F)(F)F)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095691442 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2OC[C@H](C)NC[C@H]1C ZINC000095691448 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CCc1ccccc1)[C@@H](C)CO2 ZINC000095691469 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CCc1ccccc1)[C@@H](C)CO2 ZINC000095691471 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1ccncc1)[C@@H](C)CO2 ZINC000095691485 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CCc1ccccc1)[C@@H](C)CO2 ZINC000095691511 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC(F)(F)F)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095691522 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1cncnc1)[C@H](C)CO2 ZINC000095691524 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1cncnc1)[C@H](C)CO2 ZINC000095691526 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)c1ccncc1)[C@@H](C)CO2 ZINC000095691533 JG Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H]1C ZINC000095691563 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CCc1ccccc1)[C@H](C)CO2 ZINC000095691568 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CCc1ccccc1)[C@H](C)CO2 ZINC000095691578 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CCc1ccccc1)[C@H](C)CO2 ZINC000095691598 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC(F)(F)F)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095691602 JG Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H]1C ZINC000095691625 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1ccncc1)[C@@H](C)CO2 ZINC000095691629 JG Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H]1C ZINC000095691632 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095691649 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095691656 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1ccncc1)[C@H](C)CO2 ZINC000095691676 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1cncnc1)[C@@H](C)CO2 ZINC000095691688 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095691701 JG Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@H]1C ZINC000095691707 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1ccncc1)[C@H](C)CO2 ZINC000095691716 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCC(F)(F)F)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095691738 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095691761 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1cncnc1)[C@H](C)CO2 ZINC000095691786 JG Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@@H]1C ZINC000095691796 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCC(F)(F)F)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691810 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CCc1ccccc1)[C@@H](C)CO2 ZINC000095691834 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095691840 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CCc1ccccc1)[C@H](C)CO2 ZINC000095691847 JG Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H]1C ZINC000095691861 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1cncnc1)[C@@H](C)CO2 ZINC000095691868 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1ccncc1)[C@H](C)CO2 ZINC000095691916 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095691918 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1ccncc1)[C@@H](C)CO2 ZINC000095691932 JG Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H]1C ZINC000095691988 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC(F)(F)F)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095692031 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCC(F)(F)F)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095692033 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1cncnc1)[C@@H](C)CO2 ZINC000095692040 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)c1ccncc1)[C@H](C)CO2 ZINC000095692048 JG Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@H]1C ZINC000095692057 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095692064 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1cncnc1)[C@@H](C)CO2 ZINC000095692065 JG Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@@H]1C ZINC000095692079 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095692097 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095692105 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095692112 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095692118 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095692134 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095692136 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095692138 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095692151 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095692157 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095692167 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095692180 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095692190 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095692192 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095692243 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095692252 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1cccnc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095692272 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095692280 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095692284 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095692293 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2ccncc2)C[C@@H]1C ZINC000095692307 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095692309 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095692314 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1cccnc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095692316 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095692334 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095692339 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095692347 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095692350 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2ccncc2)C[C@H]1C ZINC000095692359 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1cccnc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095692375 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095692395 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095692417 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095692424 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095692427 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095692429 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1cccnc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095692432 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095692434 JG Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)CCC)ccc2OC[C@@H]1C ZINC000095692463 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095692471 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095692480 JG Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)CCC)ccc2OC[C@@H]1C ZINC000095692488 JG Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)CCC)ccc2OC[C@H]1C ZINC000095692493 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095692496 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095692512 JG Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)CCC)ccc2OC[C@H]1C ZINC000095692520 JG Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)CCC)ccc2OC[C@@H]1C ZINC000095692529 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095692556 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095692560 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095692570 JG Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)CCC)ccc2OC[C@H]1C ZINC000095692574 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095692609 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095692610 JG Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)CCC)ccc2OC[C@H]1C ZINC000095692630 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095692634 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095692636 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095692684 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095692690 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1cccnc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095692694 JG Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)CCC)ccc2OC[C@@H]1C ZINC000095692706 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(C(=O)C2CCC2)C[C@H]1C ZINC000095692744 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1ccccn1)[C@@H](C)CO2 ZINC000095692760 JG Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H]1C ZINC000095692772 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)c1ccccn1)[C@H](C)CO2 ZINC000095692786 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1ccccn1)[C@H](C)CO2 ZINC000095692793 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@H](C)NC[C@H]1C ZINC000095692799 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@H](C)NC[C@H]1C ZINC000095692801 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(C(=O)C2CCC2)C[C@H]1C ZINC000095692805 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@H](C)NC[C@@H]1C ZINC000095692825 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(C(=O)C2CCC2)C[C@@H]1C ZINC000095692838 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(C(=O)C2CCC2)C[C@H]1C ZINC000095692845 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1ccccn1)[C@H](C)CO2 ZINC000095692847 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095692850 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1ccccn1)[C@H](C)CO2 ZINC000095692876 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccncc1)[C@@H](C)CO2 ZINC000095692877 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095692921 JG Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H]1C ZINC000095692955 JG Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H]1C ZINC000095692959 JG Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H]1C ZINC000095692978 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095692993 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccncc1)[C@@H](C)CO2 ZINC000095693011 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095693024 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(C(=O)C2CCC2)C[C@@H]1C ZINC000095693031 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccncc1)[C@H](C)CO2 ZINC000095693033 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@@H](C)NC[C@H]1C ZINC000095693037 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095693051 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccncc1)[C@H](C)CO2 ZINC000095693057 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccncc1)[C@@H](C)CO2 ZINC000095693059 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccncc1)[C@H](C)CO2 ZINC000095693069 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(C(=O)C2CCC2)C[C@H]1C ZINC000095693099 JG Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H]1C ZINC000095693143 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095693180 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095693197 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(C(=O)C2CCC2)C[C@@H]1C ZINC000095693205 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1ccccn1)[C@@H](C)CO2 ZINC000095693220 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)c1ccccn1)[C@@H](C)CO2 ZINC000095693231 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@@H](C)NC[C@H]1C ZINC000095693260 JG Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H]1C ZINC000095693273 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(C(=O)C2CCC2)C[C@@H]1C ZINC000095693275 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccncc1)[C@@H](C)CO2 ZINC000095693311 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095693316 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095693320 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095693324 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1ccccn1)[C@@H](C)CO2 ZINC000095693350 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccncc1)[C@H](C)CO2 ZINC000095693360 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095693362 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095693490 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)c2ccc(F)cc2)C[C@H]1C ZINC000095693577 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)c2ccc(F)cc2)C[C@H]1C ZINC000095693599 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)c2cccnc2)C[C@@H]1C ZINC000095693639 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)c2cccnc2)C[C@@H]1C ZINC000095693684 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)NC2CCCCC2)C[C@H]1C ZINC000095693725 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)c2ccc(F)cc2)C[C@H]1C ZINC000095693741 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095693772 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)c2cccnc2)C[C@@H]1C ZINC000095693798 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)c2cccnc2)C[C@H]1C ZINC000095693854 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095693907 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)c2cccnc2)C[C@H]1C ZINC000095693917 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)c1ccncc1 ZINC000095699284 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)NC1CCCCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095699339 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)NC1CCCCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699340 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)NC1CCCCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095699341 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)NC1CCCCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699342 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)NC1CCCCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095699343 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)NC1CCCCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699344 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)NC1CCCCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095699345 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)NC1CCCCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699346 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095699354 JG Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095699355 JG Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095699356 JG Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095699357 JG Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095699358 JG Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095699359 JG Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095699360 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095699388 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095699389 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095699390 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095699391 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095699392 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095699393 JG Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)CC1CCCC1 ZINC000095699520 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCC2)Oc2cc(Br)ccc2S1(=O)=O ZINC000095699521 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)CC1CCCC1 ZINC000095699522 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)c1ccncc1 ZINC000095699724 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)c1ccncc1 ZINC000095699725 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)c2ccncc2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095699726 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)c1ccncc1 ZINC000095699727 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)c1ccncc1 ZINC000095699728 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)c1ccncc1 ZINC000095699729 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccncc2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095699730 JG Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095699770 JG Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095699771 JG Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095699772 JG Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095699773 JG Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095699774 JG Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095699775 JG Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095699776 JG Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095699777 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095699819 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000095699820 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095699821 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095699822 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000095699823 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095699824 JG Annotated Anodyne CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700064 JG Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700065 JG Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700066 JG Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700067 JG Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700068 JG Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700069 JG Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700070 JG Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700071 JG Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095700537 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095700538 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccn2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095700539 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095700540 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095700541 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095700542 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccn2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095700543 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095700544 JG Annotated Anodyne CCN(C)C[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095700627 JG Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095700641 JG Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095700642 JG Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095700643 JG Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095700644 JG Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095700645 JG Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095700646 JG Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095700647 JG Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095700648 JG Annotated Anodyne CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC1CCOCC1)O2 ZINC000095700685 JG Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)CC1CCOCC1)O2 ZINC000095700686 JG Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)CC1CCOCC1)O2 ZINC000095700687 JG Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)CC1CCOCC1)O2 ZINC000095700688 JG Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)CC1CCOCC1)O2 ZINC000095700689 JG Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)CC1CCOCC1)O2 ZINC000095700690 JG Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)Cc1cncnc1 ZINC000095700916 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)Cc1cncnc1 ZINC000095700917 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cncnc2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095700918 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)Cc1cncnc1 ZINC000095700919 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)Cc1cncnc1 ZINC000095700920 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)Cc1cncnc1 ZINC000095700921 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cncnc2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095700922 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)Cc1cncnc1 ZINC000095700923 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095700945 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095700946 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2cc(-c3cncnc3)ccc2S1(=O)=O ZINC000095700947 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095700948 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095700949 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095700950 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2cc(-c3cncnc3)ccc2S1(=O)=O ZINC000095700951 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095700952 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095701043 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095701044 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)CC2CC2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095701045 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095701046 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095701047 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095701048 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CC2CC2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095701049 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095701050 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095701149 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095701150 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)CC2CC2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095701151 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095701152 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095701153 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095701154 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CC2CC2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095701155 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095701156 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)C1CCC1 ZINC000095701251 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)C1CCC1 ZINC000095701252 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CCC2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095701253 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)C1CCC1 ZINC000095701254 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)C1CCC1 ZINC000095701255 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)C1CCC1 ZINC000095701256 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CCC2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095701257 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)C1CCC1 ZINC000095701258 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095701267 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095701268 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CC2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095701269 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095701270 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095701271 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095701272 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CC2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095701273 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095701274 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095701306 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095701307 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095701308 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095701309 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095701310 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095701311 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095701312 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095701313 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095701381 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095701382 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095701383 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095701384 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095701385 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095701386 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095701387 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095701388 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)C(=O)C1CCC1 ZINC000095701448 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CCC2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095701449 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)C(=O)C1CCC1 ZINC000095701450 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)C(=O)C1CCC1 ZINC000095701451 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)C(=O)C1CCC1 ZINC000095701452 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CCC2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095701453 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)C(=O)C1CCC1 ZINC000095701454 JG Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)CC1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701605 JG Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)CC1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701606 JG Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)CC1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701607 JG Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)CC1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701608 JG Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)CC1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701609 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCC2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O ZINC000095701726 JG Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)CC1CCCC1 ZINC000095701727 JG Annotated Mild Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)C2CC2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095701743 JG Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)C2CC2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095701744 JG Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)C2CC2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095701745 JG Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)C2CC2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095701746 JG Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)C2CC2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095701747 JG Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)C2CC2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095701748 JG Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)C2CC2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095701749 JG Annotated Anodyne Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)C2CC2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095701750 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095701802 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095701803 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095701804 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095701805 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095701806 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095701807 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095702060 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095702061 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccnc2)Oc2cc(-c3cccnc3)ccc2S1(=O)=O ZINC000095702062 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095702063 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095702064 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095702065 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccnc2)Oc2cc(-c3cccnc3)ccc2S1(=O)=O ZINC000095702066 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095702120 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095702121 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CC2)Oc2cc(-c3ccc(F)cc3)ccc2S1(=O)=O ZINC000095702122 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095702123 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095702124 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095702125 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CC2)Oc2cc(-c3ccc(F)cc3)ccc2S1(=O)=O ZINC000095702126 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095702127 JG Annotated Anodyne COc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095702170 JG Annotated Anodyne COc1ccc(-c2ccc3c(c2)O[C@H](CN(C)CC2CC2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095702171 JG Annotated Anodyne COc1ccc(-c2ccc3c(c2)O[C@H](CN(C)CC2CC2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095702172 JG Annotated Anodyne COc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095702173 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095702196 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095702197 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccncc2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095702198 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095702199 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095702200 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095702201 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095702202 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095702337 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095702338 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccnc2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095702339 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095702340 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095702341 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095702342 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccnc2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095702343 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095702344 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095702975 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095702976 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095702977 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095702978 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095702979 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095702980 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095702981 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095702982 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095703056 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095703057 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccncc2)Oc2cc(-c3cccnc3)ccc2S1(=O)=O ZINC000095703058 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095703059 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095703060 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095703061 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccncc2)Oc2cc(-c3cccnc3)ccc2S1(=O)=O ZINC000095703062 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095703063 JG Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(C#Cc3ccc(F)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095708429 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3ccc(F)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095708430 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3ccc(F)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095708431 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#Cc3ccc(F)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095708432 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#Cc3ccc(F)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095708433 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#Cc3ccc(F)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095708434 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(-c3cccc(C#N)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095708464 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(-c3cccc(C#N)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095708465 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(-c3cccc(C#N)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095708466 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(-c3cccc(C#N)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095708467 JG Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095708476 JG Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095708477 JG Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2cc(-c3ccc(C#N)cc3)ccc2S1(=O)=O ZINC000095708478 JG Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095708479 JG Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095708564 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095708565 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095708566 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095708567 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095708568 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095708569 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095708570 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095708571 JG Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3cccc(OC)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095708595 JG Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3cccc(OC)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095708596 JG Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3cccc(OC)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095708597 JG Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3cccc(OC)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095708598 JG Annotated Anodyne CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095708700 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095708701 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095708702 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095708703 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095708704 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095708705 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095708706 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095708707 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709127 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709128 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709129 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709130 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709131 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709132 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709133 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709134 JG Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095709181 JG Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095709182 JG Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O ZINC000095709183 JG Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095709184 JG Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095709185 JG Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095709186 JG Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O ZINC000095709187 JG Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095709188 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709278 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709279 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709280 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709281 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709282 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709283 JG Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095709284 JG Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095709285 JG Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095709286 JG Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095709287 JG Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095709288 JG Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095709289 JG Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095709290 JG Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095709291 JG Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)c1cccc(F)c1)O2 ZINC000095709415 JG Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)c1cccc(F)c1)O2 ZINC000095709416 JG Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)c1cccc(F)c1)O2 ZINC000095709417 JG Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)c1cccc(F)c1)O2 ZINC000095709418 JG Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)c1cccc(F)c1)O2 ZINC000095709420 JG Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)c1cccc(F)c1)O2 ZINC000095709422 JG Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)c1cccc(F)c1)O2 ZINC000095709424 JG Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)c1cccc(F)c1)O2 ZINC000095709426 JG Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)NC1CCCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709474 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)NC1CCCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709477 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)NC1CCCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709479 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)NC1CCCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709481 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)NC1CCCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709483 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)NC1CCCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709485 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)NC1CCCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709487 JG Annotated Anodyne CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709678 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709680 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709682 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccn1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709683 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709685 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709687 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccn1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709689 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1cccnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709773 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709775 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1cccnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709776 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1cccnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709778 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1cccnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709780 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709782 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1cccnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709784 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1cccnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709787 JG Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccc(F)cc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709952 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccc(F)cc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709954 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccc(F)cc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709956 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccc(F)cc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709958 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccc(F)cc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709960 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccc(F)cc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709962 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccc(F)cc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709964 JG Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095710060 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095710062 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095710064 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095710066 JG Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095710085 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095710087 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095710090 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095710092 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095710093 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095710096 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095710098 JG Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095710596 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095710598 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095710600 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095710602 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095710604 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095710606 JG Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095710669 JG Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095710671 JG Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2cc(C#Cc3ccccc3)ccc2S1(=O)=O ZINC000095710672 JG Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095710674 JG Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095711041 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095711044 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095711046 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095711048 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095711050 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095711052 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095711054 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095711056 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095711106 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095711108 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095711111 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095711113 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095711114 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095711116 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095711118 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1cccnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711623 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711625 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1cccnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711627 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1cccnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711629 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1cccnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711631 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711633 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1cccnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711635 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1cccnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711637 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccc(F)c1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711716 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccc(F)c1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711718 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccc(F)c1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711721 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccc(F)c1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711723 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccc(F)c1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711726 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccc(F)c1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711728 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccc(F)c1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711729 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccc(F)c1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711731 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3F)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095711789 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3F)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095711790 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CC2)Oc2cc(-c3ccccc3F)ccc2S1(=O)=O ZINC000095711792 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3F)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095711794 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3F)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095711797 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3F)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095711800 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CC2)Oc2cc(-c3ccccc3F)ccc2S1(=O)=O ZINC000095711802 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3F)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095711804 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095713106 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095713110 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095713111 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095713117 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095713119 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095713124 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095713128 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095713132 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095714025 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Cc1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095714030 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Cc1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095714036 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095714040 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Cc1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095714044 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095714049 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095714052 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Cc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095714055 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)c1ccccn1 ZINC000095714181 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)c1ccccn1 ZINC000095714183 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)c2ccccn2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095714185 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)c1ccccn1 ZINC000095714187 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)c1ccccn1 ZINC000095714190 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)c1ccccn1 ZINC000095714193 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccccn2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095714195 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)c1ccccn1 ZINC000095714197 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095714597 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095714599 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CC2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095714601 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095714603 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095714606 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095714608 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CC2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095714610 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095714612 JG Annotated Anodyne CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095715032 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095715034 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095715036 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccn1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095715038 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095715040 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095715042 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095715043 JG Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccn1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095715045 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1cccnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095715384 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095715386 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1cccnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095715388 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1cccnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095715390 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1cccnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095715392 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095715394 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1cccnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095715397 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1cccnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095715399 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#Cc3cccc(F)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095715514 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095715516 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3cccc(F)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095715518 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#Cc3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095715520 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#Cc3cccc(F)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095715523 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095715524 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716019 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716022 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716023 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716025 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716027 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716035 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716073 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)CC1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716074 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)CC1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716076 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716078 JG Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095717012 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095717014 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095717016 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095717018 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095717020 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095717022 JG Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095717025 JG Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095717027 JG Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095717200 JG Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095717202 JG Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095717204 JG Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095717206 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccc1F)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095725957 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccc1F)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095725958 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccc1F)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095725959 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccc1F)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095725960 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccc1F)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095725961 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccc1F)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095725962 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccc1F)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095725963 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccc1F)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095725964 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)c1cccnc1 ZINC000095725997 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)c1cccnc1 ZINC000095725998 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)c2cccnc2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095725999 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)c1cccnc1 ZINC000095726000 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)c1cccnc1 ZINC000095726001 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)c1cccnc1 ZINC000095726002 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cccnc2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095726003 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)c1cccnc1 ZINC000095726004 JG Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)c1 ZINC000095726199 JG Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@H](CN(C)CC2CC2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)c1 ZINC000095726201 JG Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@H](CN(C)CC2CC2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)c1 ZINC000095726203 JG Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)c1 ZINC000095726205 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095726817 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095726822 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095726825 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095726827 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095726830 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095726833 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095726836 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095726838 JG Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(C#Cc3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095726865 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095726868 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095726870 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#Cc3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095726873 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#Cc3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095726876 JG Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095726878 JG Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095727113 JG Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095727115 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095727482 JG Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095727485 JG Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095727490 JG Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095727492 JG Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(C#CCc3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095727523 JG Annotated Mild CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095728022 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095728026 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095728029 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095728032 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095728034 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095728037 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095728040 JG Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095728043 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095728372 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095728375 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccn2)Oc2cc(-c3cccnc3)ccc2S1(=O)=O ZINC000095728378 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095728382 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095728384 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095728387 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccn2)Oc2cc(-c3cccnc3)ccc2S1(=O)=O ZINC000095728390 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095728394 JG Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095728681 JG Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095728684 JG Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095728686 JG Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095728689 JG Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095728692 JG Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(/C=C/c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095728695 JG Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095729981 JG Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095729984 JG Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095729989 JG Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095729991 JG Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095729993 JG Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095729995 JG Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095729998 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3ccc(C#N)cc3)cnc2O[C@H]1CN(C)C(=O)c1cccnc1 ZINC000095730312 JG Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095730325 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)CC1CCOCC1 ZINC000095730332 JG Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095730411 JG Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095730424 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccc(C#N)cc3)cnc2O[C@@H]1CN(C)C(=O)c1cccnc1 ZINC000095730434 JG Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)CC1CCOCC1 ZINC000095730447 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cccnc2)Oc2ncc(-c3ccc(C#N)cc3)cc2C1=O ZINC000095730554 JG Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CC2)Oc2cc(-c3cccc(F)c3)ccc2S1(=O)=O ZINC000095730562 JG Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095730591 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)CC1CCOCC1 ZINC000095730616 JG Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3ccc(C#N)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095730618 JG Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCOCC2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095730621 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095730630 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095730668 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095730674 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccc(C#N)cc3)cnc2O[C@H]1CN(C)C(=O)c1cccnc1 ZINC000095730692 JG Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095730715 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)CC1CCOCC1 ZINC000095730780 JG Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3ccc(C#N)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095730804 JG Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095730816 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)CC1CCOCC1 ZINC000095730840 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095730844 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095730857 JG Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095730893 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccc(C#N)cc3)cnc2O[C@H]1CN(C)C(=O)c1cccnc1 ZINC000095730919 JG Annotated Mild C[C@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccc(C#N)cc3)cnc2O[C@@H]1CN(C)C(=O)c1cccnc1 ZINC000095730932 JG Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095730960 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095730965 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)c2cccnc2)Oc2ncc(-c3ccc(C#N)cc3)cc2C1=O ZINC000095731004 JG Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCOCC2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095731056 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CC2)Oc2cc(-c3cccc(F)c3)ccc2S1(=O)=O ZINC000095731087 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)CC1CCOCC1 ZINC000095731129 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3ccc(C#N)cc3)cnc2O[C@@H]1CN(C)C(=O)c1cccnc1 ZINC000095731139 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(-c3ccc(C#N)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095731155 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)CC1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095732180 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)CC1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095732206 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)CC1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095732210 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)CC1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095732285 JG Annotated Mild CCCN(C)C[C@H]1Oc2ncc(C#Cc3ccccc3OC)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095732372 JG Annotated Mild CCCN(C)C[C@H]1Oc2ncc(C#Cc3ccccc3OC)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095732383 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)CC1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095732431 JG Annotated Mild CCCN(C)C[C@@H]1Oc2ncc(C#Cc3ccccc3OC)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095732526 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)CC1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095732608 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)CC1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095732620 JG Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)CC1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095732919 JG Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095733123 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095733172 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095733222 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095733228 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095733231 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095733286 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095733435 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccccn1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095733454 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccccn1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095733473 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095733487 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095733597 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095733638 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)Cc1ccccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095733649 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095733668 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095733674 JG Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095733694 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095734033 JG Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095734161 JG Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095734240 JG Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095734243 JG Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2cc(-c3cccc(C#N)c3)ccc2S1(=O)=O ZINC000095734561 JG Annotated Mild O=C(N[C@@H](Cc1ccccc1)Cn1cc(CN2C(=O)COC[C@H]2c2ccccc2)nn1)c1ccccc1 ZINC000095784237 JG Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@H](C(C)(C)C)[C@H]1CCCO ZINC000095784297 JG Annotated Anodyne O=C(N[C@H]1c2ccccc2C[C@H]1O)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCCCCO)O1 ZINC000095784419 JG Annotated Anodyne CC(C)(O)c1cn([C@@H]2C[C@@H]3O[C@@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(-c3cccnc3)cc2)nn1 ZINC000095793474 JG Annotated Anodyne CCC(=O)N1Cc2cc(C(=O)N3CCN(C)CC3)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO ZINC000095793486 JG Annotated Anodyne CC(C)(O)c1cn([C@H]2C[C@@H]3O[C@@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(-c3cccnc3)cc2)nn1 ZINC000095793491 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3ccccc3F)CC[C@@H]21 ZINC000095793515 JG Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@@H](c4ccc(C#CC5CCCC5)cc4)[C@@H]3C2)c1 ZINC000095793525 JG Annotated Mild CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095793531 JG Annotated Anodyne CS(=O)(=O)N[C@@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccccc2F)cc1 ZINC000095793538 JG Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(C#CC5CCCC5)cc4)[C@H]3C2)c1 ZINC000095793544 JG Annotated Mild CCN1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NC1Cc3ccccc3C1)[C@@H]2CO ZINC000095793569 JG Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2Cc1ccccc1F ZINC000095793572 JG Annotated Anodyne CS(=O)(=O)N[C@@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(/C=C/c2ccccc2)cc1 ZINC000095793574 JG Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1)c1ccccc1 ZINC000095793577 JG Annotated Anodyne CC(C)(O)c1cn([C@@H]2C[C@@H]3O[C@@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(-c3ccncc3)cc2)nn1 ZINC000095793579 JG Annotated Anodyne COc1cccc(-c2ccc(CC[C@H]3O[C@H]4CC[C@H](CO)O[C@H]4C[C@@H]3NC(=O)CN(C)C)cc2)c1 ZINC000095793593 JG Annotated Anodyne COc1ccccc1NC(=O)NC[C@@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000095793596 JG Annotated Anodyne COCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@@H](CO)O[C@H]3C[C@H]2NC(=O)Nc2c(C)noc2C)cc1 ZINC000095793601 JG Annotated Mild COc1ccc(-c2cn(CC[C@@H]3CC[C@@H](NC(=O)Nc4ccc(F)cc4)[C@@H](CO)O3)nn2)cc1 ZINC000095793603 JG Annotated Anodyne CCC(=O)N1Cc2cc(C(=O)N3CCN(C)CC3)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO ZINC000095793613 JG Annotated Anodyne CN(C)CC(=O)N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C2=CCCCC2)cc1 ZINC000095793622 JG Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)C1CCOCC1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095793637 JG Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)C1CCOCC1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095793638 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccccn1)CC31CCN(C(=O)C2CC2)CC1 ZINC000095793639 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccc(F)cc2)C1 ZINC000095793648 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccccn1)CC31CCN(C(=O)C2CC2)CC1 ZINC000095793652 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)c2ccncc2)CC1 ZINC000095793674 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)Nc2c(C)noc2C)C1 ZINC000095793692 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)Nc2c(C)noc2C)C1 ZINC000095793694 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1OC)CC31CN(C(=O)C2CC2)C1 ZINC000095793734 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CCN(Cc2cccc(F)c2)CC1 ZINC000095793748 JG Annotated Anodyne CCCC(=O)N1CC2(CCN(C(=O)NC(C)C)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095793765 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(S(C)(=O)=O)CC31CCN(Cc2cccc(F)c2)CC1 ZINC000095793767 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CN(C(=O)C2CCOCC2)C1 ZINC000095793771 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCCC1)CC31CN(C(=O)c2ccncc2)C1 ZINC000095793786 JG Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)Nc1c(C)noc1C)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095793799 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CCN(S(C)(=O)=O)CC1 ZINC000095793829 JG Annotated Anodyne COc1cccc(CN2CC3(C2)CN(C(=O)C2CC2)[C@H](CO)c2c3c3ccc(OC)cc3n2C)c1 ZINC000095793841 JG Annotated Anodyne COc1cccc(CN2CC3(C2)CN(C(=O)C2CC2)[C@@H](CO)c2c3c3ccc(OC)cc3n2C)c1 ZINC000095793842 JG Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)c1cccnc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095793865 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CN(CC2CCCC2)C1 ZINC000095793873 JG Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1cc(F)ccc1F)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095793874 JG Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1cc(F)ccc1F)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095793875 JG Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)c1cccnc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095793877 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095793995 JG Annotated Anodyne CC(=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cncnc4)c3)c2[C@@H]1CCO ZINC000095794055 JG Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095794058 JG Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@@H]1C ZINC000095794089 JG Annotated Anodyne CCCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@@H](CO)O[C@H]3C[C@H]2NC(=O)c2cnccn2)cc1 ZINC000095794125 JG Annotated Mild CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H]1C ZINC000095794220 JG Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@H]1C ZINC000095794290 JG Annotated Anodyne O=C(NC1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2S(=O)(=O)Cc1ccccc1 ZINC000095794408 JG Annotated Anodyne O=C(NC1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2S(=O)(=O)Cc1ccccc1 ZINC000095794412 JG Annotated Anodyne O=C(NC1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2S(=O)(=O)Cc1ccccc1 ZINC000095794415 JG Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095794645 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095794806 JG Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5ccc6c(c5)OCO6)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095794961 JG Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccc6c(c5)OCO6)C[C@H]34)cc2)c1 ZINC000095794962 JG Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccc6c(c5)OCO6)C[C@@H]34)cc2)c1 ZINC000095794963 JG Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095795233 JG Annotated Mild O=C(c1ccccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095795295 JG Annotated Mild O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095795321 JG Annotated Mild O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095795322 JG Annotated Mild O=C(c1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095795323 JG Annotated Mild O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095795324 JG Annotated Mild O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095795326 JG Annotated Mild O=C(c1ccccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095795327 JG Annotated Mild Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(S(=O)(=O)c5cccc(F)c5)C[C@@H]34)cc2)c1 ZINC000095795460 JG Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5cccc(F)c5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095795461 JG Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(S(=O)(=O)c5cccc(F)c5)C[C@@H]34)cc2)c1 ZINC000095795462 JG Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(S(=O)(=O)c5cccc(F)c5)C[C@@H]34)cc2)c1 ZINC000095795463 JG Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5cccc(F)c5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095795464 JG Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(S(=O)(=O)c5cccc(F)c5)C[C@H]34)cc2)c1 ZINC000095795492 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCC2)O1)NCc1ccc(Cl)cc1 ZINC000095795516 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CC[C@H]3[C@H](CN3Cc3cc(-c4ccccc4)on3)O2)cc1 ZINC000095795570 JG Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795620 JG Annotated Mild O=C(C1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795621 JG Annotated Mild O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795667 JG Annotated Mild O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795668 JG Annotated Mild O=C(C1CCCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO ZINC000095795669 JG Annotated Mild O=C(C1CCCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO ZINC000095795670 JG Annotated Mild O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@H]2C1 ZINC000095795671 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795683 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095795684 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795685 JG Annotated Mild O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@H]2C1 ZINC000095795686 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795706 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095795707 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095795708 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795709 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095795710 JG Annotated Mild O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@H]2C1 ZINC000095795715 JG Annotated Mild O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@H]2C1 ZINC000095795716 JG Annotated Mild O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095795717 JG Annotated Mild O=C(C1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095795718 JG Annotated Mild O=C(C1CCCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCc3ccccc3)cc1)[C@@H]2CO ZINC000095795769 JG Annotated Mild O=C(C1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095795770 JG Annotated Mild COC(=O)c1ccc(CN2CC(=O)N3[C@H](CO)[C@@H](c4ccc(-c5ccc(OC)cc5)cc4)[C@H]3C2)cc1 ZINC000095795813 JG Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795866 JG Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795867 JG Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095795868 JG Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795878 JG Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095795879 JG Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795880 JG Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095795881 JG Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095795882 JG Annotated Anodyne COCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@H](CO)O[C@H]3C[C@H]2NC(=O)Nc2c(C)noc2C)cc1 ZINC000095795923 JG Annotated Mild COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CN(C)C)CC31CN(Cc2ccccc2Cl)C1 ZINC000095795927 JG Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@H](c2ccc(C#CC4CCCC4)cc2)[C@@H]3CO)c1 ZINC000095795939 JG Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccncc1)CC31CCN(C(=O)C2CC2)CC1 ZINC000095795952 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1nccs1)CC31CCN(C(C)=O)CC1 ZINC000095795957 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(C(C)=O)CC1 ZINC000095795958 JG Annotated Anodyne COCC(=O)N1CC2(CN(Cc3ccccc3Cl)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095795969 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(Cc2nccs2)CC1 ZINC000095796002 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CCN(Cc2nccs2)CC1 ZINC000095796003 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095796015 JG Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(=O)Nc1ccc(F)cc1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796020 JG Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@H]1C ZINC000095796021 JG Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(=O)Nc1ccc(F)cc1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796022 JG Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(C(=O)c1ccccn1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796043 JG Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)c1ccncc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796053 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccccn1)CC31CN(C(=O)C2CCCCC2)C1 ZINC000095796057 JG Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)c1ccncc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796059 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CCN(Cc2cncnc2)CC1 ZINC000095796070 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Cc1ccccc1)CC31CCN(C(C)=O)CC1 ZINC000095796075 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Cc1ccccc1)CC31CCN(C(C)=O)CC1 ZINC000095796076 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095796085 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccccc1F)CC31CN(C(=O)C2CC2)C1 ZINC000095796086 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)OC[C@@H](C)NC[C@H](C)[C@H](OC)CN(C)C3=O)cc1 ZINC000095796087 JG Annotated Anodyne CC(C)(O)c1cn([C@H]2C[C@@H]3O[C@@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(-c3ccncc3)cc2)nn1 ZINC000095796103 JG Annotated Anodyne CCCNC(=O)N1CC2(CCN(CC3CCOCC3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095796104 JG Annotated Anodyne CCC(=O)N1CC2(CCN(Cc3ccncc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095796109 JG Annotated Anodyne CCC(=O)N1CC2(CCN(Cc3ccncc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095796111 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1cccnc1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095796112 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1cccnc1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095796113 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095796134 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095796192 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CCN(C(=O)c2ccncc2)CC1 ZINC000095796196 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1Cl)CC31CN(C(C)=O)C1 ZINC000095796199 JG Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(C(=O)NC1CCCC1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796208 JG Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(C(=O)NC1CCCC1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796209 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095796215 JG Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H]1C ZINC000095796248 JG Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4ccncc4)c3)n1)[C@@H](CCO)N(S(=O)(=O)CC)C2 ZINC000095796251 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CCN(CC2CCCCC2)CC1 ZINC000095796297 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(S(C)(=O)=O)CC31CCN(CC2CCCCC2)CC1 ZINC000095796298 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CN(Cc2ccc(Cl)cc2)C1 ZINC000095796322 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095796327 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095796356 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000095796364 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000095796366 JG Annotated Anodyne COc1cccc(CN2CC3(C2)CN(C(=O)C2CC2)[C@@H](CO)c2[nH]c4cc(OC)ccc4c23)c1 ZINC000095796375 JG Annotated Anodyne COc1cccc(CN2CC3(C2)CN(C(=O)C2CC2)[C@H](CO)c2[nH]c4cc(OC)ccc4c23)c1 ZINC000095796376 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095796382 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CN(C(=O)c2ccccc2)C1 ZINC000095796416 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CN(C(=O)c2ccccc2)C1 ZINC000095796418 JG Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)Cc1ccccn1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796423 JG Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)Cc1ccccn1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796425 JG Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(S(=O)(=O)c1ccccc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796433 JG Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(S(=O)(=O)c1ccccc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796434 JG Annotated Anodyne CC(=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cncnc4)c3)c2[C@H]1CCO ZINC000095796436 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccncc1)CC31CCN(C(=O)C2CCC2)CC1 ZINC000095796464 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CCN(C(=O)C2CCC2)CC1 ZINC000095796485 JG Annotated Anodyne CCC(=O)N1CC2(CN(Cc3ccc(F)cc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095796501 JG Annotated Anodyne CCC(=O)N1CC2(CN(Cc3ccc(F)cc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095796502 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(C)CC1 ZINC000095796528 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(C)CC1 ZINC000095796530 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1c(C)noc1C)CC31CN(CC2CC2)C1 ZINC000095796629 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1c(C)noc1C)CC31CN(CC2CC2)C1 ZINC000095796631 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095796647 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095796658 JG Annotated Anodyne CCN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1Cc2ccccc2C1 ZINC000095796664 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccncc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095796666 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CN(C(=O)CC2CC2)C1 ZINC000095796676 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CN(C(=O)CC2CC2)C1 ZINC000095796677 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095796688 JG Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)c1ccccc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796698 JG Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)c1ccccc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796699 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(S(C)(=O)=O)CC31CCN(CC2CCCC2)CC1 ZINC000095796757 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CCN(CC2CCCC2)CC1 ZINC000095796758 JG Annotated Anodyne CC(C)(O)c1cn([C@@H]2C[C@@H]3O[C@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(-c3cccnc3)cc2)nn1 ZINC000095796790 JG Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@H]1C ZINC000095796809 JG Annotated Anodyne CN(C)CC(=O)N[C@@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C2=CCCCC2)cc1 ZINC000095796892 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCC2)O1)NCc1ccc(Cl)cc1 ZINC000095796897 JG Annotated Anodyne COCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@@H](CO)O[C@H]3C[C@H]2n2cc(C3CC3)nn2)cc1 ZINC000095796974 JG Annotated Mild O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCC2)O1)NCc1ccc(Cl)cc1 ZINC000095797039 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCC2)O1)NCc1ccc(Cl)cc1 ZINC000095797159 JG Annotated Anodyne COCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@H](CO)O[C@H]3C[C@H]2n2cc(C3CC3)nn2)cc1 ZINC000095797309 JG Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCCC5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095797413 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCCC5)C[C@@H]34)cc2)c1 ZINC000095797414 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCCC5)C[C@@H]34)cc2)c1 ZINC000095797415 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCCC5)C[C@H]34)cc2)c1 ZINC000095797416 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCCCC5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095797417 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCCCC5)C[C@@H]34)cc2)c1 ZINC000095797513 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@@H]3[C@@H](CN3Cc3cc(-c4ccccc4)on3)O2)cc1 ZINC000095797535 JG Annotated Anodyne CN(C)CC(=O)N[C@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C2=CCCCC2)cc1 ZINC000095797646 JG Annotated Anodyne O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095797846 JG Annotated Mild O=C(Cc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095797847 JG Annotated Mild O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@H]2C1 ZINC000095797854 JG Annotated Mild O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@H]2C1 ZINC000095797855 JG Annotated Mild O=C(Cc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095797856 JG Annotated Mild O=C(Cc1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCc3ccccc3)cc1)[C@@H]2CO ZINC000095797857 JG Annotated Mild O=C(Cc1ccccc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCc3ccccc3)cc1)[C@@H]2CO ZINC000095797858 JG Annotated Mild C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]2N1C)c1ccccc1 ZINC000095797914 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCc3ccccc3F)CC[C@H]21 ZINC000095797924 JG Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Cc2cccnc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095797926 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3ccccc3F)CC[C@H]21 ZINC000095797931 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCc3ccccc3F)CC[C@@H]21 ZINC000095797954 JG Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Cc2cccnc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095798004 JG Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Cc2cccnc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095798018 JG Annotated Anodyne CS(=O)(=O)N[C@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccccc2F)cc1 ZINC000095798020 JG Annotated Anodyne COC(=O)c1ccc(CN2CC(=O)N3[C@H](CO)[C@H](c4ccc(-c5ccccc5F)cc4)[C@@H]3C2)cc1 ZINC000095798073 JG Annotated Anodyne COC(=O)c1ccc(CN2CC(=O)N3[C@H](C2)[C@H](c2ccc(-c4ccccc4F)cc2)[C@@H]3CO)cc1 ZINC000095798074 JG Annotated Anodyne COC(=O)c1ccc(CN2CC(=O)N3[C@H](CO)[C@@H](c4ccc(-c5ccccc5F)cc4)[C@@H]3C2)cc1 ZINC000095798075 JG Annotated Anodyne COC(=O)c1ccc(CN2CC(=O)N3[C@@H](CO)[C@@H](c4ccc(-c5ccccc5F)cc4)[C@@H]3C2)cc1 ZINC000095798076 JG Annotated Anodyne COC(=O)c1ccc(CN2CC(=O)N3[C@H](C2)[C@@H](c2ccc(-c4ccccc4F)cc2)[C@@H]3CO)cc1 ZINC000095798077 JG Annotated Anodyne COC(=O)c1ccc(CN2CC(=O)N3[C@@H](CO)[C@H](c4ccc(-c5ccccc5F)cc4)[C@@H]3C2)cc1 ZINC000095798078 JG Annotated Anodyne COC(=O)c1ccc(CN2CC(=O)N3[C@H](CO)[C@H](c4ccc(-c5ccccc5F)cc4)[C@H]3C2)cc1 ZINC000095798079 JG Annotated Anodyne COC(=O)c1ccc(CN2CC(=O)N3[C@H](CO)[C@@H](c4ccc(-c5ccccc5F)cc4)[C@H]3C2)cc1 ZINC000095798080 JG Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095798141 JG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4cc(F)ccc4F)CC(=O)N3[C@H]2CO)cc1 ZINC000095798142 JG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095798143 JG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095798144 JG Annotated Mild CCOC(=O)OC[C@@H]1[C@@H]2NC(=O)N(C)[C@@]1(COCc1ccc(OC)cc1)Oc1ccccc12 ZINC000095798318 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H]3[C@H](CN3Cc3cc(-c4ccccc4)on3)O2)cc1 ZINC000095798430 JG Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)OC[C@H](C)NC[C@H](C)[C@@H](OC)CN(C)C3=O)c1 ZINC000095798498 JG Annotated Anodyne CCCCN1C2=N[C@@H]3C=CC=CN3C(=O)C2=C[C@@H](C(=O)OCC)/C1=N/C(=O)[C@@H](C)Oc1ccccc1 ZINC000095798572 JG Annotated Mild CCCCN1C2=N[C@@H]3C=CC=CN3C(=O)C2=C[C@@H](C(=O)OCC)/C1=N/C(=O)[C@H](C)Oc1ccccc1 ZINC000095798573 JG Annotated Mild CCCCN1C2=N[C@@H]3C=CC=CN3C(=O)C2=C[C@H](C(=O)OCC)/C1=N/C(=O)[C@@H](C)Oc1ccccc1 ZINC000095798574 JG Annotated Mild CCCCN1C2=N[C@@H]3C=CC=CN3C(=O)C2=C[C@H](C(=O)OCC)/C1=N/C(=O)[C@H](C)Oc1ccccc1 ZINC000095798575 JG Annotated Mild CC(/C=C/C(=O)NO)=C\c1ccccc1OCc1cn(CCNC(=O)Nc2ccccc2)nn1 ZINC000095809250 JG Annotated Bother C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000095810250 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000095810252 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCc2cnnn2CCCC1=O ZINC000095810256 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000095810383 JG Annotated Anodyne CCCN(C)C[C@@H]1Oc2ncc(C#Cc3ccc(OC)c(OC)c3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095846949 JG Annotated Mild C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000095854519 JG Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000095856076 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000095856657 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCc2cn(nn2)CCCC1=O ZINC000095857456 JG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000095857457 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000095859768 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCc2cn(nn2)CCCC1=O ZINC000095860625 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000095861311 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000095864565 JG Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(Cc1nccs1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095864578 JG Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(Cc1nccs1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095864579 JG Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1F ZINC000095864582 JG Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccc(Cl)c(Cl)c2)O[C@@H]1CO ZINC000095864595 JG Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1)c1ccccc1 ZINC000095864617 JG Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NC1Cc3ccccc3C1)[C@@H]2CO ZINC000095864624 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CCN(S(C)(=O)=O)CC1 ZINC000095864645 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1)CC31CCN(S(C)(=O)=O)CC1 ZINC000095864650 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C)CC31CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000095864682 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000095864684 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095864721 JG Annotated Anodyne COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(C#Cc4cccnc4)ccc2N[C@H]3CO)c1 ZINC000095864743 JG Annotated Mild CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H]1C ZINC000095864747 JG Annotated Anodyne CCC(=O)N1CC2(CCN(Cc3nccs3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095864753 JG Annotated Anodyne CCC(=O)N1CC2(CCN(Cc3nccs3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095864755 JG Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H]1C ZINC000095864773 JG Annotated Anodyne COc1ccc(C(=O)Nc2ccc3c(c2)OC[C@H](C)N(C)C[C@H](C)[C@@H](OC)CN(C)C3=O)cc1 ZINC000095864789 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095864813 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000095864814 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000095864815 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CN(C(=O)C2CCCCC2)C1 ZINC000095864826 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CN(C(=O)C2CCCCC2)C1 ZINC000095864829 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cccc(Cl)c1)CC31CN(C(C)=O)C1 ZINC000095864844 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1cccc(Cl)c1)CC31CN(C(C)=O)C1 ZINC000095864847 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccccc1F)CC31CN(C(C)=O)C1 ZINC000095864849 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)c2ccccn2)CC1 ZINC000095864860 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1cccnc1)CC31CN(Cc2cccnc2)C1 ZINC000095864879 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2OC[C@H](C)NC[C@@H]1C ZINC000095864883 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cncnc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095864894 JG Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)C3CCC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095864903 JG Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H]1C ZINC000095864920 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CCN(C(=O)c2ccccc2F)CC1 ZINC000095864997 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095865005 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(C(=O)C2CCC2)C[C@@H]1C ZINC000095865014 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CCN(S(=O)(=O)c2cccc(C)c2)CC1 ZINC000095865033 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccccc1F)CC31CN(C(C)=O)C1 ZINC000095865042 JG Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H]1C ZINC000095865043 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(=O)Nc2c(C)noc2C)CC1 ZINC000095865050 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccccn1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095865056 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1nccs1)CC31CN(Cc2ccncc2)C1 ZINC000095865062 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1nccs1)CC31CN(Cc2ccncc2)C1 ZINC000095865064 JG Annotated Anodyne COCC(=O)N1CC2(CCN(Cc3ccccc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095865070 JG Annotated Anodyne COCC(=O)N1CC2(CCN(Cc3ccccc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095865072 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC1CCCC1)CC31CCN(C(C)=O)CC1 ZINC000095865074 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC1CCCC1)CC31CCN(C(C)=O)CC1 ZINC000095865075 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095865081 JG Annotated Anodyne COc1ccc(-c2cn(CC[C@H]3CC[C@@H](NC(=O)Nc4ccc(F)cc4)[C@@H](CO)O3)nn2)cc1 ZINC000095865092 JG Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095865101 JG Annotated Anodyne CCN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)Nc1nccs1 ZINC000095865144 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095865150 JG Annotated Anodyne CCC(=O)N1CC2(CN(C(=O)Nc3ccccc3F)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095865161 JG Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(C#Cc4cccnc4)ccc2N[C@H]3CO)c1 ZINC000095865166 JG Annotated Mild CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(C(=O)CC2CC2)C[C@@H]1C ZINC000095865171 JG Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C#CC5CCCC5)cc4)[C@@H]3C2)c1 ZINC000095865182 JG Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@H](c4ccc(C#CC5CCCC5)cc4)[C@@H]3C2)c1 ZINC000095865188 JG Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C#CC5CCCC5)cc4)[C@H]3C2)c1 ZINC000095865209 JG Annotated Mild CCCC(=O)N1CC2(CCN(C(=O)NC(C)C)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095865212 JG Annotated Anodyne CCCC(=O)N1CC2(CCN(C(=O)NC(C)C)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095865214 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095865225 JG Annotated Anodyne COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(C#Cc5cccnc5)cc4[C@@H]32)c1 ZINC000095865233 JG Annotated Mild CCC(=O)N1CC2(CN(C(=O)Nc3ccccc3F)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095865255 JG Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@@H]1C ZINC000095865257 JG Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(C#Cc5cccnc5)cc4[C@@H]32)c1 ZINC000095865266 JG Annotated Mild CCCNC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H]1C ZINC000095865291 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095865299 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(Cc2ccccc2C(=O)O)C[C@@H]1C ZINC000095865326 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(CC1CCOCC1)CC31CN(C(=O)c2ccc(F)cc2)C1 ZINC000095865342 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CCOCC1)CC31CN(C(=O)c2ccc(F)cc2)C1 ZINC000095865343 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)c2cccnc2)CC1 ZINC000095865353 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CN(C(=O)Nc2ccccc2F)C1 ZINC000095865363 JG Annotated Anodyne COCC(=O)N1CCC2(CC1)CN(Cc1cccc(F)c1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865466 JG Annotated Anodyne COCC(=O)N1CCC2(CC1)CN(Cc1cccc(F)c1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865468 JG Annotated Anodyne CCCNC(=O)N1CC2(CN(Cc3cccc(OC)c3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095865470 JG Annotated Anodyne CCCNC(=O)N1CC2(CN(Cc3cccc(OC)c3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095865472 JG Annotated Anodyne CCCNC(=O)N1CC2(CN(C(=O)c3cccc(F)c3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095865512 JG Annotated Anodyne CCCNC(=O)N1CC2(CN(C(=O)c3cccc(F)c3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095865514 JG Annotated Anodyne CCS(=O)(=O)N1CCC2(CC1)CN(Cc1ccccc1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865524 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(C)=O)CC31CCN(C(=O)c2cccc(F)c2)CC1 ZINC000095865542 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(=O)c2cccc(F)c2)CC1 ZINC000095865545 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccccc1)CC31CN(C(=O)CC2CC2)C1 ZINC000095865570 JG Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(Cc1cccc(OC)c1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865589 JG Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(Cc1cccc(OC)c1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865591 JG Annotated Anodyne CCC(=O)N1CC2(CCN(C(=O)c3cccnc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095865601 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCOCC1)CC31CN(Cc2cccc(F)c2)C1 ZINC000095865621 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCOCC1)CC31CN(Cc2cccc(F)c2)C1 ZINC000095865665 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)c2cccc(F)c2)C1 ZINC000095865682 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)c2cccc(F)c2)C1 ZINC000095865683 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CCN(C(=O)c2ccccc2)CC1 ZINC000095865740 JG Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)c3cccnc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095865749 JG Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)CC3CC3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095865751 JG Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)CC3CC3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095865753 JG Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)c3ccncc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095865762 JG Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)c3ccncc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095865764 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(=O)c2ccccc2)CC1 ZINC000095865807 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095865811 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095865812 JG Annotated Anodyne CCC(=O)N1CC2(CN(Cc3ccc(OC)cc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095865815 JG Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)c3cccnc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095865818 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CCN(S(C)(=O)=O)CC1 ZINC000095865823 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1)CC31CCN(S(C)(=O)=O)CC1 ZINC000095865824 JG Annotated Anodyne COCC(=O)N1CC2(C1)CN(Cc1cccc(Cl)c1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865838 JG Annotated Anodyne COCC(=O)N1CC2(C1)CN(Cc1cccc(Cl)c1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865840 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccccc1)CC31CCN(C(C)=O)CC1 ZINC000095865877 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccccc1)CC31CCN(C(C)=O)CC1 ZINC000095865879 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccncc1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095865880 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095865882 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CN(CC2CC2)C1 ZINC000095865902 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccc(F)cc1)CC31CN(CC2CC2)C1 ZINC000095865903 JG Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(=O)Nc1ccccc1F)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865922 JG Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(=O)Nc1ccccc1F)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865923 JG Annotated Anodyne COCC(=O)N1CCC2(CC1)CN(Cc1cccc(OC)c1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865953 JG Annotated Anodyne COCC(=O)N1CCC2(CC1)CN(Cc1cccc(OC)c1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865954 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095865971 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095865972 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)c2cccnc2)CC1 ZINC000095865977 JG Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095866030 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095866031 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095866032 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095866033 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095866034 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095866063 JG Annotated Mild Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(S(=O)(=O)c5cccc(F)c5)C[C@H]34)cc2)cc1 ZINC000095866065 JG Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(S(=O)(=O)c5cccc(F)c5)C[C@@H]34)cc2)cc1 ZINC000095866066 JG Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5cccc(F)c5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095866068 JG Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(S(=O)(=O)c5cccc(F)c5)C[C@@H]34)cc2)cc1 ZINC000095866070 JG Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095866084 JG Annotated Mild O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095866086 JG Annotated Mild O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095866087 JG Annotated Mild O=C(c1ccccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095866089 JG Annotated Mild O=C(c1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866108 JG Annotated Mild O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866110 JG Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095866309 JG Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095866310 JG Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095866312 JG Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095866314 JG Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866340 JG Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866341 JG Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866342 JG Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCCCC5)C[C@@H]34)cc2)cc1 ZINC000095866380 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCCC5)C[C@H]34)cc2)cc1 ZINC000095866381 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCCC5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095866383 JG Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095866385 JG Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095866387 JG Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095866389 JG Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095866400 JG Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095866401 JG Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095866402 JG Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095866403 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095866416 JG Annotated Mild COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095866418 JG Annotated Mild O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866509 JG Annotated Mild O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866510 JG Annotated Mild O=C(c1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866511 JG Annotated Mild O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095866553 JG Annotated Mild O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095866554 JG Annotated Mild O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095866557 JG Annotated Mild O=C(c1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095866559 JG Annotated Mild O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095866560 JG Annotated Mild CN(C)CC(=O)N[C@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C2=CCCCC2)cc1 ZINC000095866639 JG Annotated Anodyne COc1ccc(C#Cc2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)Nc5ccccc5F)C[C@@H]34)cc2)cc1 ZINC000095866779 JG Annotated Mild COc1ccc(C#Cc2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)Nc5ccccc5F)C[C@@H]34)cc2)cc1 ZINC000095866780 JG Annotated Mild COc1ccc(C#Cc2ccc([C@@H]3[C@H]4CN(C(=O)Nc5ccccc5F)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095866781 JG Annotated Mild COc1ccc(C#Cc2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)Nc5ccccc5F)C[C@H]34)cc2)cc1 ZINC000095866782 JG Annotated Mild COc1ccc(C#Cc2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)Nc5ccccc5F)C[C@@H]34)cc2)cc1 ZINC000095866783 JG Annotated Mild COc1ccc(C#Cc2ccc([C@H]3[C@H]4CN(C(=O)Nc5ccccc5F)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095866802 JG Annotated Mild COc1ccc(C#Cc2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)Nc5ccccc5F)C[C@H]34)cc2)cc1 ZINC000095866803 JG Annotated Mild COCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@H](CO)O[C@H]3C[C@@H]2n2cc(C3CC3)nn2)cc1 ZINC000095866863 JG Annotated Mild O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCC2)O1)NCc1ccc(Cl)cc1 ZINC000095866904 JG Annotated Anodyne COCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@@H](CO)O[C@H]3C[C@@H]2n2cc(C3CC3)nn2)cc1 ZINC000095866993 JG Annotated Mild CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@H]1C ZINC000095867406 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccncc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095867408 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095867425 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3c(F)cccc3F)O[C@@H]1CO2 ZINC000095867431 JG Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)C1CC1)c1ccccc1 ZINC000095867446 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccccc1)CC31CN(C(=O)NC(C)C)C1 ZINC000095867452 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccccc1)CC31CN(C(=O)NC(C)C)C1 ZINC000095867454 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CCOCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095867459 JG Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)c1ccc(F)cc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095867517 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1cccc(F)c1)CC31CN(C(=O)CC2CC2)C1 ZINC000095867538 JG Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)c1ccc(F)cc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095867539 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000095867560 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000095867561 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1cccc(F)c1)CC31CN(C(=O)CC2CC2)C1 ZINC000095867566 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CCN(CC2CCOCC2)CC1 ZINC000095867573 JG Annotated Anodyne COCC(=O)N1CC2(CN(Cc3ccc(Cl)cc3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095867682 JG Annotated Anodyne COCC(=O)N1CC2(CN(Cc3ccc(Cl)cc3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095867683 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CN(Cc2ccccc2OC)C1 ZINC000095867691 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CN(Cc2ccccc2OC)C1 ZINC000095867692 JG Annotated Anodyne CCCC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(C)cc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095867698 JG Annotated Anodyne CCCC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(C)cc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095867699 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccn1)CC31CN(Cc2ccccn2)C1 ZINC000095867703 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C)CC31CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000095867704 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000095867705 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(S(=O)(=O)c1ccc(C)cc1)CC31CCN(C)CC1 ZINC000095867761 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(S(=O)(=O)c1ccc(C)cc1)CC31CCN(C)CC1 ZINC000095867762 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CN(Cc2ccncc2)C1 ZINC000095867766 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000095867825 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000095867826 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CCOCC1)CC31CN(Cc2nccs2)C1 ZINC000095867828 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000095867839 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000095867840 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1Cl)CC31CN(C(=O)CN(C)C)C1 ZINC000095867856 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095867920 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@H](C)NC[C@@H]1C ZINC000095868018 JG Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H]1C ZINC000095868024 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3OC)O[C@@H]1CO2 ZINC000095868029 JG Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CCC)cc2OC[C@@H]1C ZINC000095868030 JG Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H]1C ZINC000095868036 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095868044 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095868045 JG Annotated Anodyne CCC(=O)N1CC2(CCN(C(=O)c3cccnc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095868089 JG Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095868137 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095868149 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095868177 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1nccs1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095868183 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095868217 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)CC1CC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095868231 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(C(=O)C2CCC2)C[C@H]1C ZINC000095868240 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CC2CCOCC2)C[C@@H]1C ZINC000095868256 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCCC4)cc3C(=O)N2C)O1 ZINC000095868287 JG Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4ccncc4)c3)n1)[C@H](CCO)N(S(=O)(=O)CC)C2 ZINC000095868289 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C#N)cc4)cc3C(=O)N2C)O1 ZINC000095868290 JG Annotated Mild CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccnc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095868311 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095868317 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)OC[C@H](C)NC[C@H](C)[C@@H](OC)CN(C)C3=O)cc1 ZINC000095868328 JG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095868367 JG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095868374 JG Annotated Anodyne CN(C)C(=O)c1cc2c(c(-c3cccc(-c4ccccc4F)c3)n1)[C@H](CCO)N(S(C)(=O)=O)C2 ZINC000095868386 JG Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)CCC)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095868407 JG Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)CC1CC1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868408 JG Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)CC1CC1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868409 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CCN(C(=O)c2ccccn2)CC1 ZINC000095868458 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CCN(C(=O)c2ccccn2)CC1 ZINC000095868459 JG Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1cccc(F)c1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868464 JG Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1cccc(F)c1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868465 JG Annotated Anodyne CCC(=O)N1CC2(CCN(Cc3cccnc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095868494 JG Annotated Anodyne CCC(=O)N1CC2(CCN(Cc3cccnc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095868495 JG Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(=O)Nc1ccccc1F)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868568 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(C)=O)CC31CCN(C(=O)Nc2c(C)noc2C)CC1 ZINC000095868582 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1nccs1)CC31CN(Cc2nccs2)C1 ZINC000095868586 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1nccs1)CC31CN(Cc2nccs2)C1 ZINC000095868587 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccc(F)cc1)CC31CN(C(=O)CC2CC2)C1 ZINC000095868592 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CN(C(=O)CC2CC2)C1 ZINC000095868593 JG Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(CC1CCOCC1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868598 JG Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(CC1CCOCC1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868599 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(CC1CC1)CC31CN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000095868611 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CC1)CC31CN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000095868612 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1nccs1)CC31CN(Cc2cccnc2)C1 ZINC000095868615 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C)CC31CCN(C(=O)Nc2c(C)noc2C)CC1 ZINC000095868616 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CCN(C(=O)Nc2c(C)noc2C)CC1 ZINC000095868617 JG Annotated Anodyne CCC(=O)N1CC2(CN(C(=O)Nc3ccc(F)cc3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095868618 JG Annotated Anodyne CCC(=O)N1CC2(CN(C(=O)Nc3ccc(F)cc3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095868619 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccncc1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095868622 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095868623 JG Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)CCC)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868626 JG Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)CCC)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868627 JG Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(=O)Nc1ccccc1F)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868640 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1nccs1)CC31CN(Cc2cccnc2)C1 ZINC000095868651 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CN(Cc2nccs2)C1 ZINC000095868683 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CN(Cc2nccs2)C1 ZINC000095868684 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)c2ccccn2)CC1 ZINC000095868688 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C(C)=O)C1 ZINC000095868704 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C(C)=O)C1 ZINC000095868705 JG Annotated Anodyne COCC(=O)N1CCC2(CC1)CN(Cc1ccccc1F)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868736 JG Annotated Anodyne COCC(=O)N1CC2(C1)CN(Cc1ccccc1Cl)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868744 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CN(C(=O)NC(C)C)C1 ZINC000095868752 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccc(F)cc1)CC31CN(C(=O)NC(C)C)C1 ZINC000095868753 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CCN(C(=O)Nc2c(C)noc2C)CC1 ZINC000095868768 JG Annotated Anodyne COCC(=O)N1CC2(C1)CN(Cc1ccccc1Cl)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868769 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000095868773 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1nccs1)CC31CN(C(=O)C2CCC2)C1 ZINC000095868776 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccncc1)CC31CN(CC2CCOCC2)C1 ZINC000095868777 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CN(CC2CCOCC2)C1 ZINC000095868778 JG Annotated Anodyne COCC(=O)N1CC2(C1)CN(Cc1ccccc1Cl)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868779 JG Annotated Anodyne COCC(=O)N1CC2(C1)CN(Cc1ccccc1Cl)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868780 JG Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)NC(C)C)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868788 JG Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)NC(C)C)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868789 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccccc1)CC31CN(C(=O)CC2CC2)C1 ZINC000095868798 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1nccs1)CC31CN(C(=O)CC2CC2)C1 ZINC000095868801 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1nccs1)CC31CN(C(=O)CC2CC2)C1 ZINC000095868804 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CCN(C(=O)Nc2c(C)noc2C)CC1 ZINC000095868809 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1nccs1)CC31CN(C(=O)C2CCC2)C1 ZINC000095868823 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095868834 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095868835 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)NC2CCCC2)C1 ZINC000095868836 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1cccc(F)c1)CC31CN(CC2CC2)C1 ZINC000095868857 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1cccc(F)c1)CC31CN(CC2CC2)C1 ZINC000095868858 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CN(C(=O)Nc2ccc(F)cc2)C1 ZINC000095868868 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)NC2CCCC2)C1 ZINC000095868869 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(C)=O)CC31CN(Cc2cc(-c3ccccc3)on2)C1 ZINC000095868893 JG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CN(Cc2cc(-c3ccccc3)on2)C1 ZINC000095868894 JG Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)CCC)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095868900 JG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CN(C(=O)Nc2ccc(F)cc2)C1 ZINC000095868901 JG Annotated Anodyne CS(=O)(=O)N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(/C=C/c2ccccc2)cc1 ZINC000095868936 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3ccccc3F)CC[C@@H]21 ZINC000095868938 JG Annotated Anodyne CN(C)CC(=O)N[C@@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccc(F)cc2)cc1 ZINC000095868987 JG Annotated Anodyne CN(C)CC(=O)N[C@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccc(F)cc2)cc1 ZINC000095869041 JG Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095869079 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095869082 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095869093 JG Annotated Anodyne CC(C)(O)C#Cc1cccc(-c2nc(C(=O)O)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095869122 JG Annotated Mild CC(C)(O)C#Cc1cccc(-c2nc(C(=O)O)cc3c2[C@@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095869123 JG Annotated Mild O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCC2)O1)NCc1ccc(Cl)cc1 ZINC000095869225 JG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H]3[C@@H](CN3Cc3cc(-c4ccccc4)on3)O2)cc1 ZINC000095869294 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCC2)O1)NCc1ccc(Cl)cc1 ZINC000095869297 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCC2)O1)NCc1ccc(Cl)cc1 ZINC000095869387 JG Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095871318 JG Annotated Mild O=C(c1ccc2c(c1)OCO2)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095871345 JG Annotated Mild O=C(c1ccc2c(c1)OCO2)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095871346 JG Annotated Mild O=C(c1ccc2c(c1)OCO2)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095871347 JG Annotated Mild O=C(c1ccc2c(c1)OCO2)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095871348 JG Annotated Mild O=C(c1ccc2c(c1)OCO2)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095871349 JG Annotated Mild O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@@H]2[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@H](CO)N12 ZINC000095871415 JG Annotated Mild O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@H]2[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H](CO)N12 ZINC000095871416 JG Annotated Mild O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@H]2[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@H](CO)N12 ZINC000095871417 JG Annotated Mild O=C(c1ccc2c(c1)OCO2)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095871421 JG Annotated Mild O=C(c1ccc2c(c1)OCO2)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095871422 JG Annotated Mild O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@H]2[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H](CO)N12 ZINC000095871448 JG Annotated Mild O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@@H]2[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@H](CO)N12 ZINC000095871449 JG Annotated Mild O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@@H]2[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H](CO)N12 ZINC000095871450 JG Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095871535 JG Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095871536 JG Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095871537 JG Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095871565 JG Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095871566 JG Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095871567 JG Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095871568 JG Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095871569 JG Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095871739 JG Annotated Mild CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(Cc2cccnc2)C[C@H]1C ZINC000095871917 JG Annotated Anodyne [N-]=[N+]=NCCOCCNC(=O)c1ccc(C[S@](=O)c2nnc(-c3ccc(Cl)cc3)o2)nc1 ZINC000095872115 JG Annotated Clean [N-]=[N+]=NCCOCCNC(=O)c1ccc(C[S@@](=O)c2nnc(-c3ccc(Cl)cc3)o2)nc1 ZINC000095872116 JG Annotated Clean CC(C)N1CC2(CN(Cc3ccccn3)C2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872324 JG Annotated Anodyne CN(C)CC#Cc1cccc(-c2nc(C(=O)O)cc3c2[C@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095872537 JG Annotated Mild CN(C)CC#Cc1cccc(-c2nc(C(=O)O)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095872538 JG Annotated Mild CC(C)(O)C#Cc1cccc(-c2nc(C(=O)O)cc3c2[C@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095872575 JG Annotated Mild CC(C)(O)C#Cc1cccc(-c2nc(C(=O)O)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095872576 JG Annotated Mild C[C@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)C(=O)CCN(C)C ZINC000095872714 JG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CCN(C)C)OCc2ccccc2-c2ccccc2C1=O ZINC000095872853 JG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)C(=O)CCN(C)C ZINC000095872892 JG Annotated Anodyne O=C(C1CCCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 ZINC000095873174 JG Annotated Mild O=C(C1CCCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095873175 JG Annotated Mild O=C(C1CCCC1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095873176 JG Annotated Mild O=C(C1CCCC1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095873177 JG Annotated Mild O=C(C1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 ZINC000095873178 JG Annotated Mild O=C(C1CCCC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095873179 JG Annotated Mild O=C(C1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095873180 JG Annotated Mild O=C(C1CCCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095873181 JG Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095873454 JG Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H]3CN(S(=O)(=O)Cc4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095873455 JG Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095873456 JG Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H]3CN(S(=O)(=O)Cc4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095873457 JG Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095873458 JG Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095873459 JG Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@H]23)cc1 ZINC000095873460 JG Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)Cc4ccccc4)C[C@H]23)cc1 ZINC000095873461 JG Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CC(C)C)cc4)[C@H]3C2)c1 ZINC000095873501 JG Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C#CC(C)C)cc2)[C@@H]3CO)c1 ZINC000095873502 JG Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(C#CC(C)C)cc2)[C@@H]3CO)c1 ZINC000095873503 JG Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CC(C)C)cc4)[C@@H]3C2)c1 ZINC000095873504 JG Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CC(C)C)cc4)[C@@H]3C2)c1 ZINC000095873505 JG Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(C#CC(C)C)cc4)[C@@H]3C2)c1 ZINC000095873506 JG Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CC(C)C)cc4)[C@H]3C2)c1 ZINC000095873507 JG Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C#CC(C)C)cc4)[C@@H]3C2)c1 ZINC000095873508 JG Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CC5CC5)cc4)[C@H]3C2)cc1 ZINC000095873533 JG Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(C#CC4CC4)cc2)[C@@H]3CO)cc1 ZINC000095873534 JG Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CC5CC5)cc4)[C@H]3C2)cc1 ZINC000095873535 JG Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CC5CC5)cc4)[C@@H]3C2)cc1 ZINC000095873536 JG Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C#CC4CC4)cc2)[C@@H]3CO)cc1 ZINC000095873537 JG Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C#CC5CC5)cc4)[C@@H]3C2)cc1 ZINC000095873538 JG Annotated Mild Cc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CC5CC5)cc4)[C@@H]3C2)c1 ZINC000095873619 JG Annotated Mild Cc1cccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(C#CC5CC5)cc4)[C@@H]3C2)c1 ZINC000095873620 JG Annotated Mild Cc1cccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(C#CC4CC4)cc2)[C@@H]3CO)c1 ZINC000095873621 JG Annotated Mild Cc1cccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C#CC5CC5)cc4)[C@@H]3C2)c1 ZINC000095873622 JG Annotated Mild Cc1cccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C#CC4CC4)cc2)[C@@H]3CO)c1 ZINC000095873623 JG Annotated Mild Cc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CC5CC5)cc4)[C@H]3C2)c1 ZINC000095873624 JG Annotated Mild Cc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CC5CC5)cc4)[C@@H]3C2)c1 ZINC000095873625 JG Annotated Mild Cc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CC5CC5)cc4)[C@H]3C2)c1 ZINC000095873626 JG Annotated Mild Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5cn(C)cn5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873774 JG Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cn(C)cn5)C[C@@H]34)cc2)c1 ZINC000095873775 JG Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cn(C)cn5)C[C@H]34)cc2)c1 ZINC000095873776 JG Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5cn(C)cn5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873777 JG Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5cn(C)cn5)C[C@@H]34)cc2)c1 ZINC000095873778 JG Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cn(C)cn5)C[C@H]34)cc2)c1 ZINC000095873779 JG Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5cn(C)cn5)C[C@@H]34)cc2)c1 ZINC000095873780 JG Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cn(C)cn5)C[C@@H]34)cc2)c1 ZINC000095873781 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095873849 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095873850 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095873851 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 ZINC000095873852 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 ZINC000095873853 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095873854 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO ZINC000095873855 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO ZINC000095873856 JG Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4cn(C)cn4)C[C@@H]23)cc1 ZINC000095873989 JG Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cn(C)cn4)C[C@@H]23)cc1 ZINC000095873990 JG Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4cn(C)cn4)CCCCN3[C@H]2CO)cc1 ZINC000095873991 JG Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cn(C)cn4)C[C@H]23)cc1 ZINC000095873992 JG Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4cn(C)cn4)C[C@@H]23)cc1 ZINC000095873993 JG Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cn(C)cn4)C[C@H]23)cc1 ZINC000095873994 JG Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4cn(C)cn4)CCCCN3[C@H]2CO)cc1 ZINC000095873995 JG Annotated Anodyne CC(C)(O)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4cccc(F)c4)CCCCN3[C@H]2CO)cc1 ZINC000095873996 JG Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4cccc(F)c4)CCCCN3[C@H]2CO)cc1 ZINC000095873997 JG Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@H]23)cc1 ZINC000095873998 JG Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095873999 JG Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095874000 JG Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095874001 JG Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@H]23)cc1 ZINC000095874002 JG Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095874003 JG Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@H]23)cc1 ZINC000095874218 JG Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095874219 JG Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095874220 JG Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Nc4cc(F)ccc4F)CCCCN3[C@H]2CO)cc1 ZINC000095874221 JG Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4cc(F)ccc4F)CCCCN3[C@H]2CO)cc1 ZINC000095874222 JG Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@H]23)cc1 ZINC000095874223 JG Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095874224 JG Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095874225 JG Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(Cc5cncnc5)C[C@@H]34)cc2)cc1 ZINC000095874307 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5cncnc5)C[C@@H]34)cc2)cc1 ZINC000095874308 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(Cc5cncnc5)C[C@@H]34)cc2)cc1 ZINC000095874309 JG Annotated Anodyne O=C(Cc1ccccc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095874350 JG Annotated Mild O=C(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095874351 JG Annotated Mild O=C(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 ZINC000095874352 JG Annotated Mild O=C(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 ZINC000095874353 JG Annotated Mild O=C(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095874354 JG Annotated Mild O=C(Cc1ccccc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095874355 JG Annotated Mild O=C(Cc1ccccc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095874356 JG Annotated Mild O=C(Cc1ccccc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095874357 JG Annotated Mild O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874514 JG Annotated Mild O=C(Cc1ccccn1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874515 JG Annotated Mild O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874516 JG Annotated Mild O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095874517 JG Annotated Mild O=C(Cc1ccccn1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874518 JG Annotated Mild O=C(Cc1ccccn1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095874519 JG Annotated Mild O=C(Cc1ccccn1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095874520 JG Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095874782 JG Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095874783 JG Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095874784 JG Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095874785 JG Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095874786 JG Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095874787 JG Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095874788 JG Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095874789 JG Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(C#CC5CC5)cc4)[C@@H]3C2)c1 ZINC000095874818 JG Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CC5CC5)cc4)[C@@H]3C2)c1 ZINC000095874819 JG Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C#CC4CC4)cc2)[C@@H]3CO)c1 ZINC000095874820 JG Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CC5CC5)cc4)[C@H]3C2)c1 ZINC000095874821 JG Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CC5CC5)cc4)[C@H]3C2)c1 ZINC000095874822 JG Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CC5CC5)cc4)[C@@H]3C2)c1 ZINC000095874823 JG Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(C#CC4CC4)cc2)[C@@H]3CO)c1 ZINC000095874824 JG Annotated Mild COc1cccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C#CC5CC5)cc4)[C@@H]3C2)c1 ZINC000095874825 JG Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccn4)cc3)[C@@H]2C1 ZINC000095874931 JG Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccn4)cc3)[C@H]2C1 ZINC000095874932 JG Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095874947 JG Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)CCCCN3[C@H]2CO)cc1 ZINC000095874948 JG Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095874949 JG Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)CCCCN3[C@H]2CO)cc1 ZINC000095874950 JG Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095874951 JG Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccc(F)cc4)C[C@H]23)cc1 ZINC000095874952 JG Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccc(F)cc4)C[C@H]23)cc1 ZINC000095874953 JG Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095874954 JG Annotated Mild O=S(=O)(c1cccs1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875090 JG Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875091 JG Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095875092 JG Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875093 JG Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095875094 JG Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095875095 JG Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095875096 JG Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875097 JG Annotated Anodyne COCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095875297 JG Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@H]23)cc1 ZINC000095875298 JG Annotated Mild COCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095875299 JG Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095875300 JG Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@H]23)cc1 ZINC000095875301 JG Annotated Mild COCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4cc(F)ccc4F)CCCCN3[C@H]2CO)cc1 ZINC000095875302 JG Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095875303 JG Annotated Mild COCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Nc4cc(F)ccc4F)CCCCN3[C@H]2CO)cc1 ZINC000095875304 JG Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)C5CC5)C[C@H]34)cc2)cc1 ZINC000095875397 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)C5CC5)C[C@@H]34)cc2)cc1 ZINC000095875398 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)C5CC5)C[C@@H]34)cc2)cc1 ZINC000095875399 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)C5CC5)C[C@@H]34)cc2)cc1 ZINC000095875400 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CC5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095875401 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)C5CC5)C[C@H]34)cc2)cc1 ZINC000095875402 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CC5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095875403 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)C5CC5)C[C@@H]34)cc2)cc1 ZINC000095875404 JG Annotated Anodyne OC[C@@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095875409 JG Annotated Mild OC[C@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H]2CN(Cc3cncnc3)CCCCN21 ZINC000095875410 JG Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095875411 JG Annotated Mild OC[C@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H]2CN(Cc3cncnc3)CCCCN21 ZINC000095875412 JG Annotated Mild OC[C@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095875413 JG Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095875433 JG Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095875434 JG Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095875435 JG Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095875436 JG Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095875437 JG Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095875438 JG Annotated Mild O=S(=O)(c1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095875439 JG Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CC(C)C)cc4)[C@@H]3C2)cc1 ZINC000095875488 JG Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CC(C)C)cc4)[C@@H]3C2)cc1 ZINC000095875489 JG Annotated Mild COc1ccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C#CC(C)C)cc4)[C@@H]3C2)cc1 ZINC000095875490 JG Annotated Mild OC[C@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095875569 JG Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095875570 JG Annotated Mild OC[C@@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095875571 JG Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 ZINC000095877107 JG Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccccc4F)CCCCN3[C@H]2CO)cc1 ZINC000095877108 JG Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 ZINC000095877109 JG Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4F)C[C@H]23)cc1 ZINC000095877110 JG Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 ZINC000095877111 JG Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4F)C[C@H]23)cc1 ZINC000095877112 JG Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 ZINC000095877113 JG Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccccc4F)CCCCN3[C@H]2CO)cc1 ZINC000095877114 JG Annotated Mild CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Cc2ccccn2)[C@@H](CO)N3C)cc1 ZINC000095877564 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Cc2ccccn2)[C@H](CO)N3C)cc1 ZINC000095877565 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2ccccn2)[C@@H](CO)N3C)cc1 ZINC000095877566 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2ccccn2)[C@H](CO)N3C)cc1 ZINC000095877567 JG Annotated Anodyne CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2)[C@@H]1CO ZINC000095877594 JG Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2)[C@H]1CO ZINC000095877595 JG Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@H]1CO ZINC000095877640 JG Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@H]1CO ZINC000095877641 JG Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@@H]1CO ZINC000095877642 JG Annotated Mild COc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(C#Cc5cccnc5)cc4[C@H]32)c1 ZINC000095877710 JG Annotated Mild COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(C#Cc5cccnc5)cc4[C@@H]32)c1 ZINC000095877711 JG Annotated Mild CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@@H](CO)N3C)cc1 ZINC000095877826 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@H](CO)N3C)cc1 ZINC000095877827 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@@H](CO)N3C)cc1 ZINC000095877828 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@H](CO)N3C)cc1 ZINC000095877829 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@@H](CO)N3)c1 ZINC000095877874 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@@H](CO)N3)c1 ZINC000095877875 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@H](CO)N3)c1 ZINC000095877876 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@H](CO)N3)c1 ZINC000095877877 JG Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(Br)cc4[C@@H]32)c1 ZINC000095878116 JG Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(Br)ccc2N(C)[C@H]3CO)c1 ZINC000095878117 JG Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(Br)cc4[C@@H]32)c1 ZINC000095878118 JG Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(Br)cc4[C@H]32)c1 ZINC000095878119 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccncc2)[C@@H](CO)N3C)c1 ZINC000095878196 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)[C@@H](CO)N3C)c1 ZINC000095878197 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccncc2)[C@H](CO)N3C)c1 ZINC000095878198 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)[C@H](CO)N3C)c1 ZINC000095878199 JG Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@H]1CO ZINC000095878214 JG Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H]1CO ZINC000095878215 JG Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@H]1CO ZINC000095878216 JG Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H]1CO ZINC000095878217 JG Annotated Anodyne CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095878235 JG Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095878236 JG Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@H]1CO ZINC000095878237 JG Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@H]1CO ZINC000095878238 JG Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(C#Cc4cccnc4)ccc2N(C)[C@H]3CO)cc1 ZINC000095878369 JG Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(C#Cc5cccnc5)cc4[C@H]32)cc1 ZINC000095878370 JG Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(C#Cc5cccnc5)cc4[C@@H]32)cc1 ZINC000095878371 JG Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(C#Cc5cccnc5)cc4[C@@H]32)cc1 ZINC000095878372 JG Annotated Mild CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccn2)[C@@H](CO)N3C)cc1 ZINC000095878425 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccn2)[C@H](CO)N3C)cc1 ZINC000095878426 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cccnc2)[C@@H](CO)N3)c1 ZINC000095878440 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cccnc2)[C@H](CO)N3)c1 ZINC000095878441 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cccnc2)[C@H](CO)N3)c1 ZINC000095878442 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cccnc2)[C@@H](CO)N3)c1 ZINC000095878443 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Cc2ccncc2)[C@@H](CO)N3)c1 ZINC000095878449 JG Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(C#Cc5cccnc5)cc4[C@@H]32)c1 ZINC000095878499 JG Annotated Mild Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(C#Cc5cccnc5)cc4[C@H]32)c1 ZINC000095878500 JG Annotated Mild CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Cc2ccccn2)[C@H](CO)N3C)c1 ZINC000095878512 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Cc2ccccn2)[C@@H](CO)N3C)c1 ZINC000095878513 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2ccccn2)[C@@H](CO)N3C)c1 ZINC000095878514 JG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2ccccn2)[C@H](CO)N3C)c1 ZINC000095878515 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccn2)[C@H](CO)N3)cc1 ZINC000095878574 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccn2)[C@H](CO)N3)cc1 ZINC000095878575 JG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccn2)[C@@H](CO)N3)cc1 ZINC000095878576 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CO)N(C)c3ccc(Br)cc3[C@@H]21 ZINC000095878593 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)N(C)c3ccc(Br)cc3[C@H]21 ZINC000095878594 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(Br)cc3[C@@H]21 ZINC000095878595 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N(C)[C@H]2CO ZINC000095878596 JG Annotated Anodyne CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@H]1CO ZINC000095878618 JG Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H]1CO ZINC000095878619 JG Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H]1CO ZINC000095878620 JG Annotated Mild CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@H]1CO ZINC000095878829 JG Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095878830 JG Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@H]1CO ZINC000095878831 JG Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095878832 JG Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095879100 JG Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2CC1CC1 ZINC000095879101 JG Annotated Anodyne CCN1[C@H](C(=O)NCc2cccc(OC)c2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]21 ZINC000095879146 JG Annotated Anodyne CCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1cccc(OC)c1 ZINC000095879147 JG Annotated Anodyne O=C(Nc1ccccc1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1Cc1cocn1 ZINC000095879148 JG Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1Cc1nccs1)N1CCCCC1 ZINC000095879165 JG Annotated Anodyne O=C([C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1nccs1)N1CCCCC1 ZINC000095879166 JG Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2Cc1nccs1)N1CCCCC1 ZINC000095879167 JG Annotated Anodyne CCCN1[C@H](C(=O)NC2Cc3ccccc3C2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095879170 JG Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1Cc2ccccc2C1 ZINC000095879171 JG Annotated Anodyne O=C(NC1Cc2ccccc2C1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2CC1CC1 ZINC000095879174 JG Annotated Anodyne O=C(NC1Cc2ccccc2C1)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095879175 JG Annotated Anodyne COc1ccccc1CN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N(C)C ZINC000095879180 JG Annotated Anodyne COc1ccccc1CN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)N(C)C)[C@@H]2CO ZINC000095879181 JG Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)N1CCc3ccccc3C1)[C@@H]2CO ZINC000095879191 JG Annotated Anodyne CCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCc2ccccc2C1 ZINC000095879192 JG Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1F ZINC000095879285 JG Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2Cc1ccccc1F ZINC000095879286 JG Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1Cc1cc(F)ccc1F ZINC000095879287 JG Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1Cc1cc(F)ccc1F ZINC000095879288 JG Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccccc1 ZINC000095879339 JG Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)c1ccccc1 ZINC000095879340 JG Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1cccc(OC)c1 ZINC000095879343 JG Annotated Anodyne CCCN1[C@H](C(=O)NCc2cccc(OC)c2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095879344 JG Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1Cc1ccccc1F ZINC000095879367 JG Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1Cc1ccccc1F ZINC000095879368 JG Annotated Anodyne CCCN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccccn1 ZINC000095879403 JG Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NCc1ccccn1)[C@@H]2CO ZINC000095879404 JG Annotated Anodyne O=C(Nc1nccs1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]2N1CC1CCCC1 ZINC000095879405 JG Annotated Anodyne O=C(Nc1nccs1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]2N1CC1CCCC1 ZINC000095879406 JG Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]2N1Cc1cc(F)ccc1F ZINC000095879471 JG Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]2N1Cc1cc(F)ccc1F ZINC000095879472 JG Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1F ZINC000095879489 JG Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2Cc1ccccc1F ZINC000095879490 JG Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)N1CCc3ccccc3C1)[C@@H]2CO ZINC000095879497 JG Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCc2ccccc2C1 ZINC000095879498 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@H](C)c3ccccc3)[C@@H]2N1Cc1cccnc1 ZINC000095879640 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@@H](C)c3ccccc3)[C@H]2N1Cc1cccnc1 ZINC000095879641 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@H](C)c3ccccc3)[C@H]2N1Cc1cccnc1 ZINC000095879642 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@@H](C)c3ccccc3)[C@@H]2N1Cc1cccnc1 ZINC000095879643 JG Annotated Anodyne CCC(=O)N1[C@H](C(=O)Nc2nccs2)[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]21 ZINC000095879679 JG Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)Nc1nccs1 ZINC000095879680 JG Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)NCC1CCCCC1)[C@@H]2CO ZINC000095879751 JG Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC1CCCCC1 ZINC000095879752 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@@H](C)c3ccccc3)[C@H]2N1Cc1ccncc1 ZINC000095879911 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@@H](C)c3ccccc3)[C@@H]2N1Cc1ccncc1 ZINC000095879912 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@H](C)c3ccccc3)[C@@H]2N1Cc1ccncc1 ZINC000095879913 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@H](C)c3ccccc3)[C@H]2N1Cc1ccncc1 ZINC000095879914 JG Annotated Anodyne O=C([C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCC(F)(F)F)N1CCCCC1 ZINC000095879925 JG Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2CCC(F)(F)F)N1CCCCC1 ZINC000095879926 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2ccccc2F)[C@@H](C(=O)Nc2nccs2)[C@@H]1CO ZINC000095879945 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)Nc3nccs3)N(Cc3ccccc3F)[C@@H]21 ZINC000095879946 JG Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1 ZINC000095879956 JG Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2Cc1ccccc1 ZINC000095879957 JG Annotated Anodyne O=C(NCc1cccc(F)c1)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095880126 JG Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)N[C@@H](C)c1ccccc1)[C@@H]2CO ZINC000095880468 JG Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N[C@H](C)c1ccccc1 ZINC000095880469 JG Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N[C@@H](C)c1ccccc1 ZINC000095880470 JG Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)N[C@H](C)c1ccccc1)[C@@H]2CO ZINC000095880471 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccccc3)N(CCC(F)(F)F)[C@@H]21 ZINC000095880573 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCC(F)(F)F)[C@@H](C(=O)NCc2ccccc2)[C@@H]1CO ZINC000095880574 JG Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2Cc1ccccc1F ZINC000095880645 JG Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1F ZINC000095880646 JG Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]2N1Cc1ccccc1F ZINC000095880666 JG Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]2N1Cc1ccccc1F ZINC000095880667 JG Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC1CC1 ZINC000095880673 JG Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)CC1CC1 ZINC000095880674 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCc4ccccc4C3)[C@@H]2N1Cc1ccncc1 ZINC000095880738 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N3CCc4ccccc4C3)[C@H]2N1Cc1ccncc1 ZINC000095880739 JG Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2Cc1ccccc1F ZINC000095880740 JG Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1F ZINC000095880741 JG Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]2N1CCC(F)(F)F ZINC000095881342 JG Annotated Anodyne O=C(NC1Cc2ccccc2C1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2CC1CC1 ZINC000095881362 JG Annotated Anodyne O=C(NC1Cc2ccccc2C1)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095881363 JG Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@H]1[C@@H](C(=O)N[C@H](C)c1ccccc1)[C@@H]2CO ZINC000095881380 JG Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@H]1[C@@H](C(=O)N[C@@H](C)c1ccccc1)[C@@H]2CO ZINC000095881381 JG Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccccc4OC)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N[C@H](C)c1ccccc1 ZINC000095881382 JG Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccccc4OC)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N[C@@H](C)c1ccccc1 ZINC000095881383 JG Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]2N1Cc1cc(F)ccc1F ZINC000095881390 JG Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]2N1Cc1cc(F)ccc1F ZINC000095881391 JG Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)N[C@H](C)c1ccccc1)[C@@H]2CO ZINC000095881468 JG Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N[C@H](C)c1ccccc1 ZINC000095881469 JG Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)N[C@@H](C)c1ccccc1)[C@@H]2CO ZINC000095881470 JG Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N[C@@H](C)c1ccccc1 ZINC000095881471 JG Annotated Anodyne CCC(=O)N1[C@H](C(=O)NCc2ccc(F)cc2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]21 ZINC000095881531 JG Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000095881532 JG Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)c1ccccc1 ZINC000095881618 JG Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccccc1 ZINC000095881619 JG Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C(=O)CC1CC1 ZINC000095881667 JG Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC1CC1 ZINC000095881668 JG Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C)c1ccccc1 ZINC000095881685 JG Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2C)c1ccccc1 ZINC000095881686 JG Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2C)c1ccccc1 ZINC000095881687 JG Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C)c1ccccc1 ZINC000095881688 JG Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1Cc1ccccc1F ZINC000095881738 JG Annotated Anodyne O=C(NCC1CC1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1Cc1ccccc1F ZINC000095881739 JG Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2Cc1ccccc1F ZINC000095881759 JG Annotated Anodyne O=C([C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1nccs1)N1CCCCC1 ZINC000095881847 JG Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2Cc1nccs1)N1CCCCC1 ZINC000095881848 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2cc(F)ccc2F)[C@@H](C(=O)Nc2nccs2)[C@@H]1CO ZINC000095884532 JG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)Nc3nccs3)N(Cc3cc(F)ccc3F)[C@@H]21 ZINC000095884533 JG Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1Cc2ccccc2C1 ZINC000095884536 JG Annotated Anodyne CCCN1[C@H](C(=O)NC2Cc3ccccc3C2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]21 ZINC000095884537 JG Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccc(F)cc1 ZINC000095884548 JG Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]1[C@@H](C(=O)NCc1ccc(F)cc1)[C@@H]2CO ZINC000095884549 JG Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2)c1ccccc1 ZINC000095884552 JG Annotated Anodyne O=C(NCc1ccccn1)[C@H]1[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095884597 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)NCc1cccc(F)c1 ZINC000095884973 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(-c3ccncc3)c2)O1)N1CCCCC1 ZINC000095884982 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(-c3ccncc3)c2)O1)N1CCCCC1 ZINC000095884983 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(-c3ccncc3)c2)O1)N1CCCCC1 ZINC000095884984 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(-c3ccncc3)c2)O1)N1CCCCC1 ZINC000095884985 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(-c3ccncc3)c2)O1)N1CCCCC1 ZINC000095884986 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(-c3ccncc3)c2)O1)N1CCCCC1 ZINC000095884987 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(-c3ccncc3)c2)O1)N1CCCCC1 ZINC000095884988 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(-c3ccncc3)c2)O1)N1CCCCC1 ZINC000095884989 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2)O1)NCc1ccccc1Cl ZINC000095885039 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2)O1)NCc1ccccc1Cl ZINC000095885040 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2)O1)NCc1ccccc1Cl ZINC000095885041 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccccc2)O1)NCc1ccccc1Cl ZINC000095885042 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccccc2)O1)NCc1ccccc1Cl ZINC000095885043 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2)O1)NCc1ccccc1Cl ZINC000095885044 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2)O1)NCc1ccccc1Cl ZINC000095885045 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2)O1)NCc1ccccc1Cl ZINC000095885046 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)NCc1cccc(F)c1 ZINC000095885150 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)NCc1cccc(F)c1 ZINC000095885151 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(Cl)c2)O1)NCc1cccc(F)c1 ZINC000095885152 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(Cl)c2)O1)NCc1cccc(F)c1 ZINC000095885153 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)NCc1cccc(F)c1 ZINC000095885154 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(Cl)c2)O1)NCc1cccc(F)c1 ZINC000095885155 JG Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1 ZINC000095885631 JG Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1 ZINC000095885632 JG Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1 ZINC000095885633 JG Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1 ZINC000095885634 JG Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1 ZINC000095885635 JG Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1 ZINC000095885636 JG Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1 ZINC000095885637 JG Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1 ZINC000095885638 JG Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1 ZINC000095885639 JG Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1 ZINC000095885640 JG Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1 ZINC000095885641 JG Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1 ZINC000095885642 JG Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1 ZINC000095885643 JG Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1 ZINC000095885644 JG Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1 ZINC000095885645 JG Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)c1ccccc1 ZINC000095885646 JG Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(F)c2)O1)c1ccccc1 ZINC000095886009 JG Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(F)c2)O1)c1ccccc1 ZINC000095886010 JG Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(F)c2)O1)c1ccccc1 ZINC000095886011 JG Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(F)c2)O1)c1ccccc1 ZINC000095886012 JG Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2cccc(F)c2)O1)c1ccccc1 ZINC000095886013 JG Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(F)c2)O1)c1ccccc1 ZINC000095886014 JG Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(F)c2)O1)c1ccccc1 ZINC000095886015 JG Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(F)c2)O1)c1ccccc1 ZINC000095886016 JG Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(F)c2)O1)c1ccccc1 ZINC000095886017 JG Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(F)c2)O1)c1ccccc1 ZINC000095886018 JG Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(F)c2)O1)c1ccccc1 ZINC000095886019 JG Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2cccc(F)c2)O1)c1ccccc1 ZINC000095886020 JG Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(F)c2)O1)c1ccccc1 ZINC000095886021 JG Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(F)c2)O1)c1ccccc1 ZINC000095886022 JG Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2cccc(F)c2)O1)c1ccccc1 ZINC000095886023 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(F)cc2)O1)NCc1ccccc1Cl ZINC000095886098 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(F)cc2)O1)NCc1ccccc1Cl ZINC000095886099 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(F)cc2)O1)NCc1ccccc1Cl ZINC000095886100 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(F)cc2)O1)NCc1ccccc1Cl ZINC000095886101 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(F)cc2)O1)NCc1ccccc1Cl ZINC000095886102 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(F)cc2)O1)NCc1ccccc1Cl ZINC000095886103 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1cccc(F)c1 ZINC000095886491 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1cccc(F)c1 ZINC000095886492 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1cccc(F)c1 ZINC000095886493 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1cccc(F)c1 ZINC000095886494 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1cccc(F)c1 ZINC000095886495 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1cccc(F)c1 ZINC000095886496 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1cccc(F)c1 ZINC000095886497 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cc(Cl)cc(Cl)c2)O1)NCC1CC1 ZINC000095886522 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cc(Cl)cc(Cl)c2)O1)NCC1CC1 ZINC000095886523 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cc(Cl)cc(Cl)c2)O1)NCC1CC1 ZINC000095886524 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cc(Cl)cc(Cl)c2)O1)NCC1CC1 ZINC000095886525 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2cc(Cl)cc(Cl)c2)O1)NCC1CC1 ZINC000095886526 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095886593 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095886594 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095886595 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095886596 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095886597 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095886598 JG Annotated Anodyne COc1ccc(CN2C[C@H](O)COC[C@H]3O[C@@H](CC(=O)NCc4ccccc4Cl)CC[C@@H]32)cc1 ZINC000095886908 JG Annotated Anodyne COc1ccc(CN2C[C@@H](O)COC[C@H]3O[C@@H](CC(=O)NCc4ccccc4Cl)CC[C@@H]32)cc1 ZINC000095886909 JG Annotated Anodyne COc1ccc(CN2C[C@H](O)COC[C@H]3O[C@H](CC(=O)NCc4ccccc4Cl)CC[C@@H]32)cc1 ZINC000095886910 JG Annotated Anodyne COc1ccc(CN2C[C@@H](O)COC[C@@H]3O[C@@H](CC(=O)NCc4ccccc4Cl)CC[C@H]32)cc1 ZINC000095886911 JG Annotated Anodyne COc1ccc(CN2C[C@@H](O)COC[C@H]3O[C@H](CC(=O)NCc4ccccc4Cl)CC[C@@H]32)cc1 ZINC000095886912 JG Annotated Anodyne COc1ccc(CN2C[C@@H](O)COC[C@@H]3O[C@H](CC(=O)NCc4ccccc4Cl)CC[C@H]32)cc1 ZINC000095886913 JG Annotated Anodyne COc1ccc(CN2C[C@H](O)COC[C@@H]3O[C@@H](CC(=O)NCc4ccccc4Cl)CC[C@H]32)cc1 ZINC000095886914 JG Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)CC[C@H]21 ZINC000095886923 JG Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)CC[C@@H]21 ZINC000095886924 JG Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)CC[C@@H]21 ZINC000095886925 JG Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)CC[C@H]21 ZINC000095886926 JG Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)CC[C@@H]21 ZINC000095886927 JG Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)CC[C@H]21 ZINC000095886928 JG Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)CC[C@@H]21 ZINC000095886929 JG Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)CC[C@H]21 ZINC000095886930 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CCC(F)(F)F)O1)N1CCC(Cc2ccccc2)CC1 ZINC000095886970 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CCC(F)(F)F)O1)N1CCC(Cc2ccccc2)CC1 ZINC000095886971 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CCC(F)(F)F)O1)N1CCC(Cc2ccccc2)CC1 ZINC000095886972 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CCC(F)(F)F)O1)N1CCC(Cc2ccccc2)CC1 ZINC000095886973 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CCC(F)(F)F)O1)N1CCC(Cc2ccccc2)CC1 ZINC000095886974 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CCC(F)(F)F)O1)N1CCC(Cc2ccccc2)CC1 ZINC000095886975 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CCC(F)(F)F)O1)N1CCC(Cc2ccccc2)CC1 ZINC000095886976 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CCC(F)(F)F)O1)N1CCC(Cc2ccccc2)CC1 ZINC000095886977 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)N1CCc2ccccc2C1 ZINC000095887047 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)N1CCc2ccccc2C1 ZINC000095887048 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)N1CCc2ccccc2C1 ZINC000095887049 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)N1CCc2ccccc2C1 ZINC000095887050 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)N1CCc2ccccc2C1 ZINC000095887051 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)N1CCc2ccccc2C1 ZINC000095887052 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)N1CCc2ccccc2C1 ZINC000095887053 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)N1CCc2ccccc2C1 ZINC000095887054 JG Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)c1ccccc1 ZINC000095887104 JG Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)c1ccccc1 ZINC000095887105 JG Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)c1ccccc1 ZINC000095887106 JG Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)c1ccccc1 ZINC000095887107 JG Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)c1ccccc1 ZINC000095887108 JG Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)c1ccccc1 ZINC000095887109 JG Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)c1ccccc1 ZINC000095887110 JG Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)c1ccccc1 ZINC000095887111 JG Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)c1ccccc1 ZINC000095887112 JG Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)c1ccccc1 ZINC000095887113 JG Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)c1ccccc1 ZINC000095887114 JG Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)c1ccccc1 ZINC000095887115 JG Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)c1ccccc1 ZINC000095887116 JG Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)c1ccccc1 ZINC000095887117 JG Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)c1ccccc1 ZINC000095887118 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Cl)cc2)O1)NCCc1ccccc1 ZINC000095887188 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Cl)cc2)O1)NCCc1ccccc1 ZINC000095887189 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Cl)cc2)O1)NCCc1ccccc1 ZINC000095887190 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Cl)cc2)O1)NCCc1ccccc1 ZINC000095887191 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Cl)cc2)O1)NCCc1ccccc1 ZINC000095887192 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Cl)cc2)O1)NCCc1ccccc1 ZINC000095887193 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Cl)cc2)O1)NCCc1ccccc1 ZINC000095887194 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NC1CCC1 ZINC000095887373 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NC1CCC1 ZINC000095887375 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NC1CCC1 ZINC000095887378 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NC1CCC1 ZINC000095887380 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NC1CCC1 ZINC000095887383 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NC1CCC1 ZINC000095887385 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NC1CCC1 ZINC000095887388 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NC1CCC1 ZINC000095887390 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1)N1CCC(Cc2ccccc2)CC1 ZINC000095887571 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2nccs2)O1)N1CCC(Cc2ccccc2)CC1 ZINC000095887573 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2nccs2)O1)N1CCC(Cc2ccccc2)CC1 ZINC000095887575 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2nccs2)O1)N1CCC(Cc2ccccc2)CC1 ZINC000095887577 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1)N1CCC(Cc2ccccc2)CC1 ZINC000095887578 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1)N1CCC(Cc2ccccc2)CC1 ZINC000095887580 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2nccs2)O1)N1CCC(Cc2ccccc2)CC1 ZINC000095887583 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1)N1CCC(Cc2ccccc2)CC1 ZINC000095887585 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(Cl)cc1 ZINC000095887799 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(Cl)cc1 ZINC000095887800 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(Cl)cc1 ZINC000095887801 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(Cl)cc1 ZINC000095887802 JG Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(Cl)cc1 ZINC000095887803 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(Cl)cc1 ZINC000095887804 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(Cl)cc1 ZINC000095887805 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@H](CC(=O)NCc3ccccc3F)CC[C@@H]21 ZINC000095887939 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@H](CC(=O)NCc3ccccc3F)CC[C@H]21 ZINC000095887940 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095887949 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095887950 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095887951 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095887952 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095887953 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095887954 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095887955 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095887956 JG Annotated Anodyne COc1cccc(NC(=O)C[C@@H]2CC[C@@H]3[C@H](COc4ccc(NC(=O)C5CC5)cc4C(=O)N3C)O2)c1 ZINC000095887973 JG Annotated Anodyne COc1cccc(NC(=O)C[C@@H]2CC[C@H]3[C@H](COc4ccc(NC(=O)C5CC5)cc4C(=O)N3C)O2)c1 ZINC000095887974 JG Annotated Anodyne COc1cccc(NC(=O)C[C@H]2CC[C@@H]3[C@H](COc4ccc(NC(=O)C5CC5)cc4C(=O)N3C)O2)c1 ZINC000095887975 JG Annotated Anodyne COc1cccc(NC(=O)C[C@H]2CC[C@@H]3[C@@H](COc4ccc(NC(=O)C5CC5)cc4C(=O)N3C)O2)c1 ZINC000095887976 JG Annotated Anodyne COc1cccc(NC(=O)C[C@H]2CC[C@H]3[C@H](COc4ccc(NC(=O)C5CC5)cc4C(=O)N3C)O2)c1 ZINC000095887977 JG Annotated Anodyne COc1cccc(NC(=O)C[C@@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)C5CC5)cc4C(=O)N3C)O2)c1 ZINC000095887978 JG Annotated Anodyne COc1cccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)C5CC5)cc4C(=O)N3C)O2)c1 ZINC000095887979 JG Annotated Anodyne COc1cccc(NC(=O)C[C@@H]2CC[C@@H]3[C@@H](COc4ccc(NC(=O)C5CC5)cc4C(=O)N3C)O2)c1 ZINC000095887980 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095887981 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095887982 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095887983 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095887984 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095887985 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095887986 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095887987 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095887988 JG Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095888050 JG Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095888051 JG Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095888052 JG Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095888053 JG Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095888054 JG Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095888055 JG Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095888056 JG Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095888057 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888089 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888090 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888091 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888092 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888093 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888094 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888095 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095888125 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095888126 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095888127 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095888128 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095888129 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095888130 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095888131 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@@H]1CO2 ZINC000095888140 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N3CCc4ccccc4C3)O[C@@H]1CO2 ZINC000095888141 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@@H]1CO2 ZINC000095888142 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N3CCc4ccccc4C3)O[C@@H]1CO2 ZINC000095888143 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@H]1CO2 ZINC000095888144 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@H]1CO2 ZINC000095888145 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N3CCc4ccccc4C3)O[C@H]1CO2 ZINC000095888146 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N3CCc4ccccc4C3)O[C@H]1CO2 ZINC000095888147 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@H]2O[C@@H](CC(=O)N3CCCCC3)CC[C@H]21 ZINC000095888171 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@@H]2O[C@@H](CC(=O)N3CCCCC3)CC[C@@H]21 ZINC000095888172 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@@H]2O[C@@H](CC(=O)N3CCCCC3)CC[C@H]21 ZINC000095888173 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@@H]2O[C@H](CC(=O)N3CCCCC3)CC[C@@H]21 ZINC000095888174 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@H]2O[C@H](CC(=O)N3CCCCC3)CC[C@@H]21 ZINC000095888175 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@@H]2O[C@H](CC(=O)N3CCCCC3)CC[C@H]21 ZINC000095888176 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@H]2O[C@H](CC(=O)N3CCCCC3)CC[C@H]21 ZINC000095888177 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@H]2O[C@@H](CC(=O)N3CCCCC3)CC[C@@H]21 ZINC000095888178 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095888195 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095888196 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095888197 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095888198 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095888199 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095888200 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095888201 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095888202 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4OC)cc3C(=O)N2C)O1 ZINC000095888211 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4OC)cc3C(=O)N2C)O1 ZINC000095888212 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4OC)cc3C(=O)N2C)O1 ZINC000095888213 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4OC)cc3C(=O)N2C)O1 ZINC000095888214 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4OC)cc3C(=O)N2C)O1 ZINC000095888215 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4OC)cc3C(=O)N2C)O1 ZINC000095888216 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4OC)cc3C(=O)N2C)O1 ZINC000095888217 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4OC)cc3C(=O)N2C)O1 ZINC000095888218 JG Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1 ZINC000095888220 JG Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1 ZINC000095888221 JG Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1 ZINC000095888222 JG Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1 ZINC000095888223 JG Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1 ZINC000095888224 JG Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1 ZINC000095888225 JG Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1 ZINC000095888226 JG Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1 ZINC000095888227 JG Annotated Anodyne Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)O)O[C@@H]2CO3)cc1 ZINC000095888268 JG Annotated Anodyne Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)O)O[C@H]2CO3)cc1 ZINC000095888269 JG Annotated Anodyne Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)O)O[C@H]2CO3)cc1 ZINC000095888270 JG Annotated Anodyne Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)O)O[C@H]2CO3)cc1 ZINC000095888271 JG Annotated Anodyne Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)O)O[C@@H]2CO3)cc1 ZINC000095888272 JG Annotated Anodyne Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)O)O[C@@H]2CO3)cc1 ZINC000095888273 JG Annotated Anodyne Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)O)O[C@H]2CO3)cc1 ZINC000095888274 JG Annotated Anodyne Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)O)O[C@@H]2CO3)cc1 ZINC000095888275 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3OC)O[C@@H]1CO2 ZINC000095888276 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCCc3ccccc3)O[C@@H]1CO2 ZINC000095888277 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCCc3ccccc3)O[C@@H]1CO2 ZINC000095888278 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCCc3ccccc3)O[C@@H]1CO2 ZINC000095888279 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCCc3ccccc3)O[C@H]1CO2 ZINC000095888280 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCCc3ccccc3)O[C@H]1CO2 ZINC000095888281 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCCc3ccccc3)O[C@@H]1CO2 ZINC000095888282 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCCc3ccccc3)O[C@H]1CO2 ZINC000095888283 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCCc3ccccc3)O[C@H]1CO2 ZINC000095888284 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C#N)cc4)cc3C(=O)N2C)O1 ZINC000095888307 JG Annotated Mild CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3)O[C@@H]1CO2 ZINC000095888322 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3)O[C@@H]1CO2 ZINC000095888323 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3)O[C@H]1CO2 ZINC000095888324 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3)O[C@H]1CO2 ZINC000095888325 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3)O[C@H]1CO2 ZINC000095888326 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3)O[C@@H]1CO2 ZINC000095888327 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3)O[C@H]1CO2 ZINC000095888328 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3)O[C@@H]1CO2 ZINC000095888329 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888338 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888339 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888340 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888341 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888342 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888343 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888344 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888345 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095888362 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095888363 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095888364 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095888365 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095888366 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095888367 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095888368 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095888369 JG Annotated Anodyne COc1cccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(C)=O)cc4C(=O)N3C)O2)c1 ZINC000095888370 JG Annotated Anodyne COc1cccc(NC(=O)C[C@@H]2CC[C@H]3[C@H](COc4ccc(NC(C)=O)cc4C(=O)N3C)O2)c1 ZINC000095888371 JG Annotated Anodyne COc1cccc(NC(=O)C[C@H]2CC[C@@H]3[C@@H](COc4ccc(NC(C)=O)cc4C(=O)N3C)O2)c1 ZINC000095888372 JG Annotated Anodyne COc1cccc(NC(=O)C[C@H]2CC[C@@H]3[C@H](COc4ccc(NC(C)=O)cc4C(=O)N3C)O2)c1 ZINC000095888373 JG Annotated Anodyne COc1cccc(NC(=O)C[C@@H]2CC[C@@H]3[C@H](COc4ccc(NC(C)=O)cc4C(=O)N3C)O2)c1 ZINC000095888374 JG Annotated Anodyne COc1cccc(NC(=O)C[C@@H]2CC[C@H]3[C@@H](COc4ccc(NC(C)=O)cc4C(=O)N3C)O2)c1 ZINC000095888375 JG Annotated Anodyne COc1cccc(NC(=O)C[C@H]2CC[C@H]3[C@H](COc4ccc(NC(C)=O)cc4C(=O)N3C)O2)c1 ZINC000095888376 JG Annotated Anodyne COc1cccc(NC(=O)C[C@@H]2CC[C@@H]3[C@@H](COc4ccc(NC(C)=O)cc4C(=O)N3C)O2)c1 ZINC000095888377 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888426 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888427 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888428 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888429 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888430 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888431 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888432 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888433 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccc(OC)cc3)O[C@@H]1CO2 ZINC000095888457 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cc(F)cc(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095888481 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cc(F)cc(F)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095888482 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cc(F)cc(F)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095888483 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cc(F)cc(F)c3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095888484 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cc(F)cc(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095888485 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cc(F)cc(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095888486 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cc(F)cc(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095888487 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cc(F)cc(F)c3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095888488 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888497 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888498 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888499 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888500 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888501 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888502 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888503 JG Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)O)O[C@@H]2CO3)c1 ZINC000095888512 JG Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)O)O[C@@H]2CO3)c1 ZINC000095888513 JG Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)O)O[C@H]2CO3)c1 ZINC000095888514 JG Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)O)O[C@H]2CO3)c1 ZINC000095888515 JG Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)O)O[C@@H]2CO3)c1 ZINC000095888516 JG Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)O)O[C@@H]2CO3)c1 ZINC000095888517 JG Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)O)O[C@H]2CO3)c1 ZINC000095888518 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccc(OC)cc3)O[C@@H]1CO2 ZINC000095888544 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccc(OC)cc3)O[C@H]1CO2 ZINC000095888545 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccc(OC)cc3)O[C@H]1CO2 ZINC000095888546 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccc(OC)cc3)O[C@H]1CO2 ZINC000095888547 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccc(OC)cc3)O[C@@H]1CO2 ZINC000095888548 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccc(OC)cc3)O[C@H]1CO2 ZINC000095888549 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccc(OC)cc3)O[C@@H]1CO2 ZINC000095888550 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccc(OC)cc3)O[C@@H]1CO2 ZINC000095888551 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095888567 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095888568 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095888569 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095888570 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095888571 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095888572 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095888573 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095888574 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(C#N)cc4)cc3C(=O)N2C)O1 ZINC000095888582 JG Annotated Mild COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(C#N)cc4)cc3C(=O)N2C)O1 ZINC000095888583 JG Annotated Mild COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C#N)cc4)cc3C(=O)N2C)O1 ZINC000095888584 JG Annotated Mild COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888601 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888602 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888603 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888604 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888605 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888606 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCCC4)cc3C(=O)N2C)O1 ZINC000095888670 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CCCC4)cc3C(=O)N2C)O1 ZINC000095888671 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CCCC4)cc3C(=O)N2C)O1 ZINC000095888672 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCCC4)cc3C(=O)N2C)O1 ZINC000095888673 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCCC4)cc3C(=O)N2C)O1 ZINC000095888674 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCCC4)cc3C(=O)N2C)O1 ZINC000095888675 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCCC4)cc3C(=O)N2C)O1 ZINC000095888676 JG Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888759 JG Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888760 JG Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888761 JG Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888762 JG Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888763 JG Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888764 JG Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888765 JG Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888766 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@H]2O[C@@H](CC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000095888813 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3)O[C@@H]1CO2 ZINC000095888877 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3)O[C@H]1CO2 ZINC000095888878 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3)O[C@H]1CO2 ZINC000095888879 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3)O[C@@H]1CO2 ZINC000095888880 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3)O[C@H]1CO2 ZINC000095888881 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3)O[C@@H]1CO2 ZINC000095888882 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3)O[C@H]1CO2 ZINC000095888883 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3)O[C@@H]1CO2 ZINC000095888884 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NC3Cc4ccccc4C3)O[C@@H]1CO2 ZINC000095888885 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NC3Cc4ccccc4C3)O[C@H]1CO2 ZINC000095888886 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC3Cc4ccccc4C3)O[C@H]1CO2 ZINC000095888887 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3Cc4ccccc4C3)O[C@@H]1CO2 ZINC000095888888 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC3Cc4ccccc4C3)O[C@@H]1CO2 ZINC000095888889 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC3Cc4ccccc4C3)O[C@@H]1CO2 ZINC000095888890 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC3Cc4ccccc4C3)O[C@H]1CO2 ZINC000095888891 JG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3Cc4ccccc4C3)O[C@H]1CO2 ZINC000095888892 JG Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095888962 JG Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095888963 JG Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095888964 JG Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095888965 JG Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095888966 JG Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095888967 JG Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095888968 JG Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095888969 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]1CO2 ZINC000095889007 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccc(F)cc3)O[C@H]1CO2 ZINC000095889008 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@H]1CO2 ZINC000095889009 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]1CO2 ZINC000095889010 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]1CO2 ZINC000095889011 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]1CO2 ZINC000095889012 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccc(F)cc3)O[C@H]1CO2 ZINC000095889013 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@H]1CO2 ZINC000095889014 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3Cl)O[C@@H]1CO2 ZINC000095889037 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3Cl)O[C@H]1CO2 ZINC000095889038 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3Cl)O[C@@H]1CO2 ZINC000095889039 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3Cl)O[C@@H]1CO2 ZINC000095889040 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3Cl)O[C@H]1CO2 ZINC000095889041 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3Cl)O[C@H]1CO2 ZINC000095889042 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3Cl)O[C@H]1CO2 ZINC000095889043 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3Cl)O[C@@H]1CO2 ZINC000095889044 JG Annotated Anodyne COc1ccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(C)=O)cc4C(=O)N3C)O2)cc1 ZINC000095889061 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3cccc(F)c3)O[C@@H]1CO2 ZINC000095889202 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3cccc(F)c3)O[C@H]1CO2 ZINC000095889203 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3cccc(F)c3)O[C@H]1CO2 ZINC000095889204 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3cccc(F)c3)O[C@H]1CO2 ZINC000095889205 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3cccc(F)c3)O[C@@H]1CO2 ZINC000095889206 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3cccc(F)c3)O[C@H]1CO2 ZINC000095889207 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3cccc(F)c3)O[C@@H]1CO2 ZINC000095889208 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3cccc(F)c3)O[C@@H]1CO2 ZINC000095889209 JG Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)O)O[C@@H]1CO2 ZINC000095889260 JG Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2 ZINC000095889261 JG Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)O)O[C@H]1CO2 ZINC000095889262 JG Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2 ZINC000095889263 JG Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2 ZINC000095889264 JG Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@@H]1CO2 ZINC000095889265 JG Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@H]1CO2 ZINC000095889266 JG Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2 ZINC000095889267 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095889268 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095889269 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095889270 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095889271 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095889272 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095889273 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095889274 JG Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC3CCCCC3)O[C@H]1CO2 ZINC000095889282 JG Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3CCCCC3)O[C@@H]1CO2 ZINC000095889283 JG Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NC3CCCCC3)O[C@H]1CO2 ZINC000095889284 JG Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC3CCCCC3)O[C@@H]1CO2 ZINC000095889285 JG Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC3CCCCC3)O[C@H]1CO2 ZINC000095889286 JG Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC3CCCCC3)O[C@@H]1CO2 ZINC000095889287 JG Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3CCCCC3)O[C@H]1CO2 ZINC000095889288 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)c(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095889289 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)c(F)c3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095889290 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)c(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095889291 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)c(F)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095889292 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)c(F)c3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095889293 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)c(F)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095889294 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)c(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095889295 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(F)c(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095889296 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3cccc(F)c3)CC[C@@H]21 ZINC000095889328 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3cccc(F)c3)CC[C@@H]21 ZINC000095889329 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCc3cccc(F)c3)CC[C@@H]21 ZINC000095889330 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3cccc(F)c3)CC[C@H]21 ZINC000095889331 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCc3cccc(F)c3)CC[C@H]21 ZINC000095889332 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@H](CC(=O)NCc3cccc(F)c3)CC[C@@H]21 ZINC000095889333 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3cccc(F)c3)CC[C@H]21 ZINC000095889334 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@H](CC(=O)NCc3cccc(F)c3)CC[C@H]21 ZINC000095889335 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@@H]1CO2 ZINC000095889396 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@H]1CO2 ZINC000095889397 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@@H]1CO2 ZINC000095889398 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N3CCc4ccccc4C3)O[C@@H]1CO2 ZINC000095889399 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N3CCc4ccccc4C3)O[C@H]1CO2 ZINC000095889400 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N3CCc4ccccc4C3)O[C@H]1CO2 ZINC000095889401 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@H]1CO2 ZINC000095889402 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N3CCc4ccccc4C3)O[C@@H]1CO2 ZINC000095889403 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(OC)cc4)cc3C(=O)N2C)O1 ZINC000095889417 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(OC)cc4)cc3C(=O)N2C)O1 ZINC000095889418 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(OC)cc4)cc3C(=O)N2C)O1 ZINC000095889419 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(OC)cc4)cc3C(=O)N2C)O1 ZINC000095889420 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(OC)cc4)cc3C(=O)N2C)O1 ZINC000095889421 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(OC)cc4)cc3C(=O)N2C)O1 ZINC000095889422 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(OC)cc4)cc3C(=O)N2C)O1 ZINC000095889423 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(OC)cc4)cc3C(=O)N2C)O1 ZINC000095889424 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccs3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095889425 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccs3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095889426 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccs3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095889427 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccs3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095889428 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccs3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095889429 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccs3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095889430 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccs3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095889431 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cccs3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095889432 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4Cl)cc3C(=O)N2C)O1 ZINC000095889462 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccccc4Cl)cc3C(=O)N2C)O1 ZINC000095889463 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccccc4Cl)cc3C(=O)N2C)O1 ZINC000095889464 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccccc4Cl)cc3C(=O)N2C)O1 ZINC000095889465 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4Cl)cc3C(=O)N2C)O1 ZINC000095889466 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccccc4Cl)cc3C(=O)N2C)O1 ZINC000095889467 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4Cl)cc3C(=O)N2C)O1 ZINC000095889468 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4Cl)cc3C(=O)N2C)O1 ZINC000095889469 JG Annotated Anodyne COc1ccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)C5CC5)cc4C(=O)N3C)O2)cc1 ZINC000095889479 JG Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@H](O)[C@]34CC[C@H]5[C@H](CC=C6C=CCC(=O)[C@]65C)[C@](O)(CC[C@H]32)O4)C1 ZINC000095889824 JG Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@]2(C)O[C@H](O)[C@@]34CC[C@H]5[C@H](CC=C6C=CCC(=O)[C@]65C)[C@@](O)(CC[C@H]23)O4)C1 ZINC000095889825 JG Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@]2(C)O[C@H](O)[C@]34CC[C@H]5[C@H](CC=C6C=CCC(=O)[C@@]65C)[C@](O)(CC[C@H]32)O4)C1 ZINC000095889826 JG Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@@]2(C)O[C@H](O)[C@]34CC[C@H]5[C@H](CC=C6C=CCC(=O)[C@@]65C)[C@](O)(CC[C@@H]23)O4)C1 ZINC000095889827 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1 ZINC000095891554 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1 ZINC000095891555 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1 ZINC000095891556 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1 ZINC000095891557 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1 ZINC000095891558 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1 ZINC000095891559 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1 ZINC000095891560 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1 ZINC000095891561 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095891602 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095891603 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095891604 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095891605 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095891606 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095891607 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095891608 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCCc3ccccc3)O[C@@H]1CO2 ZINC000095891609 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCCc3ccccc3)O[C@@H]1CO2 ZINC000095891610 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCCc3ccccc3)O[C@H]1CO2 ZINC000095891611 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCCc3ccccc3)O[C@H]1CO2 ZINC000095891612 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCCc3ccccc3)O[C@H]1CO2 ZINC000095891613 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCCc3ccccc3)O[C@@H]1CO2 ZINC000095891614 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCCc3ccccc3)O[C@H]1CO2 ZINC000095891615 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCCc3ccccc3)O[C@@H]1CO2 ZINC000095891616 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095891638 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095891639 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095891640 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095891641 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095891642 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095891643 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095891644 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095891645 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(OC)c4)cc3C(=O)N2C)O1 ZINC000095891678 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(OC)c4)cc3C(=O)N2C)O1 ZINC000095891679 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(OC)c4)cc3C(=O)N2C)O1 ZINC000095891680 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(OC)c4)cc3C(=O)N2C)O1 ZINC000095891681 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(OC)c4)cc3C(=O)N2C)O1 ZINC000095891682 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(OC)c4)cc3C(=O)N2C)O1 ZINC000095891683 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(OC)c4)cc3C(=O)N2C)O1 ZINC000095891684 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccc(C)cc3)O[C@@H]1CO2 ZINC000095891713 JG Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095891770 JG Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095891771 JG Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095891772 JG Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095891773 JG Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095891774 JG Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095891775 JG Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095891776 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095891783 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095891784 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095891785 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095891786 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095891787 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095891788 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000095891789 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C#N)c4)cc3C(=O)N2C)O1 ZINC000095891798 JG Annotated Mild CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NC3CCCC3)O[C@@H]1CO2 ZINC000095891867 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC3CCCC3)O[C@H]1CO2 ZINC000095891868 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC3CCCC3)O[C@H]1CO2 ZINC000095891869 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3CCCC3)O[C@@H]1CO2 ZINC000095891870 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC3CCCC3)O[C@@H]1CO2 ZINC000095891871 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC3CCCC3)O[C@@H]1CO2 ZINC000095891872 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NC3CCCC3)O[C@H]1CO2 ZINC000095891873 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3CCCC3)O[C@H]1CO2 ZINC000095891874 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095891891 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095891892 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095891893 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095891894 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095891895 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095891896 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095891913 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095891914 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095891915 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095891916 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095891917 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095891918 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095891919 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3cccc(F)c3)O[C@@H]1CO2 ZINC000095891920 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095891939 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095891940 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095891941 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095891942 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095891943 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095891944 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095891945 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095891946 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3F)O[C@@H]1CO2 ZINC000095892026 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3F)O[C@H]1CO2 ZINC000095892027 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3F)O[C@H]1CO2 ZINC000095892028 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3F)O[C@H]1CO2 ZINC000095892029 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3F)O[C@H]1CO2 ZINC000095892030 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3F)O[C@@H]1CO2 ZINC000095892031 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3F)O[C@@H]1CO2 ZINC000095892032 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3F)O[C@@H]1CO2 ZINC000095892033 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3)O[C@@H]1CO2 ZINC000095892044 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3)O[C@@H]1CO2 ZINC000095892045 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3)O[C@H]1CO2 ZINC000095892046 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3)O[C@H]1CO2 ZINC000095892047 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3)O[C@H]1CO2 ZINC000095892048 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccccc3)O[C@H]1CO2 ZINC000095892049 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccccc3)O[C@@H]1CO2 ZINC000095892050 JG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccccc3)O[C@@H]1CO2 ZINC000095892051 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095892060 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095892061 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095892062 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095892063 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095892064 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095892065 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095892066 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095892067 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095892090 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095892091 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095892092 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095892093 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095892094 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095892095 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095892103 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095892104 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095892105 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095892106 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095892107 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095892108 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095892109 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095892110 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC3CCCC3)O[C@H]1CO2 ZINC000095892196 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC3CCCC3)O[C@H]1CO2 ZINC000095892197 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NC3CCCC3)O[C@H]1CO2 ZINC000095892198 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3CCCC3)O[C@H]1CO2 ZINC000095892199 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC3CCCC3)O[C@@H]1CO2 ZINC000095892200 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC3CCCC3)O[C@@H]1CO2 ZINC000095892201 JG Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3CCCC3)O[C@@H]1CO2 ZINC000095892202 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC(F)(F)F)CC[C@@H]21 ZINC000095892243 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H]2O[C@H](CC(=O)NCC(F)(F)F)CC[C@H]21 ZINC000095892244 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H]2O[C@H](CC(=O)NCC(F)(F)F)CC[C@@H]21 ZINC000095892245 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC(F)(F)F)CC[C@H]21 ZINC000095892246 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC(F)(F)F)CC[C@H]21 ZINC000095892247 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC(F)(F)F)CC[C@@H]21 ZINC000095892248 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC(F)(F)F)CC[C@H]21 ZINC000095892249 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC(F)(F)F)CC[C@@H]21 ZINC000095892250 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095892266 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095892267 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095892268 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095892269 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095892270 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095892271 JG Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095892272 JG Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095892273 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H]1CO2 ZINC000095892287 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H]1CO2 ZINC000095892288 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H]1CO2 ZINC000095892289 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@H]1CO2 ZINC000095892290 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@H]1CO2 ZINC000095892291 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@H]1CO2 ZINC000095892292 JG Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H]1CO2 ZINC000095892293 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC3CCCCC3)O[C@@H]1CO2 ZINC000095892385 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC3CCCCC3)O[C@H]1CO2 ZINC000095892386 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3CCCCC3)O[C@H]1CO2 ZINC000095892387 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NC3CCCCC3)O[C@H]1CO2 ZINC000095892388 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC3CCCCC3)O[C@@H]1CO2 ZINC000095892389 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3CCCCC3)O[C@@H]1CO2 ZINC000095892390 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC3CCCCC3)O[C@H]1CO2 ZINC000095892391 JG Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095892458 JG Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095892459 JG Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095892460 JG Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095892461 JG Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095892462 JG Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095892463 JG Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(C)c4)cc3C(=O)N2C)O1 ZINC000095892464 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cccs4)cc3C(=O)N2C)O1 ZINC000095892540 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cccs4)cc3C(=O)N2C)O1 ZINC000095892541 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cccs4)cc3C(=O)N2C)O1 ZINC000095892542 JG Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cccs4)cc3C(=O)N2C)O1 ZINC000095892543 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cccs4)cc3C(=O)N2C)O1 ZINC000095892544 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cccs4)cc3C(=O)N2C)O1 ZINC000095892545 JG Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cccs4)cc3C(=O)N2C)O1 ZINC000095892546 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N3CCCCC3)O[C@H]1CO2 ZINC000095892632 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N3CCCCC3)O[C@@H]1CO2 ZINC000095892633 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N3CCCCC3)O[C@@H]1CO2 ZINC000095892634 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N3CCCCC3)O[C@@H]1CO2 ZINC000095892635 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N3CCCCC3)O[C@@H]1CO2 ZINC000095892636 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N3CCCCC3)O[C@H]1CO2 ZINC000095892637 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N3CCCCC3)O[C@H]1CO2 ZINC000095892638 JG Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N3CCCCC3)O[C@H]1CO2 ZINC000095892639 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095892731 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095892732 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095892733 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095892734 JG Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095892735 JG Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095892736 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095892949 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095892950 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095892951 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095892952 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095892953 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095892954 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095892955 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N[C@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095892956 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N[C@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095892957 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N[C@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095892958 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N[C@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095892959 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N[C@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095892960 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N[C@H](C)c3ccccc3)O[C@H]1CO2 ZINC000095892961 JG Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N[C@H](C)c3ccccc3)O[C@@H]1CO2 ZINC000095892962 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095893057 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095893117 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095893118 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095893119 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095893120 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095893127 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095893128 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095893129 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095893207 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095893208 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095893209 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095893210 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095893211 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095893212 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095893213 JG Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095893214 JG Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)NC4CCCC4)O[C@H]2CO3)no1 ZINC000095893237 JG Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)NC4CCCC4)O[C@H]2CO3)no1 ZINC000095893238 JG Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)NC4CCCC4)O[C@@H]2CO3)no1 ZINC000095893239 JG Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)NC4CCCC4)O[C@H]2CO3)no1 ZINC000095893240 JG Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)NC4CCCC4)O[C@@H]2CO3)no1 ZINC000095893241 JG Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)NC4CCCC4)O[C@@H]2CO3)no1 ZINC000095893242 JG Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)NC4CCCC4)O[C@H]2CO3)no1 ZINC000095893243 JG Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095893400 JG Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095893401 JG Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095893402 JG Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095893403 JG Annotated Anodyne O=S(=O)(c1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894061 JG Annotated Anodyne O=S(=O)(c1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894062 JG Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3Cc2ccc3c(c2)OCO3)c1 ZINC000095894145 JG Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3Cc2ccc3c(c2)OCO3)c1 ZINC000095894146 JG Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894796 JG Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894797 JG Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894798 JG Annotated Anodyne CO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(F)cc1 ZINC000095898900 JG Annotated Anodyne CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(F)cc1 ZINC000095898901 JG Annotated Anodyne CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(F)cc1 ZINC000095898902 JG Annotated Anodyne CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(F)cc1 ZINC000095898903 JG Annotated Anodyne CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(F)cc1 ZINC000095898904 JG Annotated Anodyne CO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(F)cc1 ZINC000095898905 JG Annotated Anodyne CO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(F)cc1 ZINC000095898906 JG Annotated Anodyne CO[C@H](CN(C)C(=O)C1CC1)[C@@H](C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CO ZINC000095898907 JG Annotated Anodyne CO[C@@H](CN(C)C(=O)C1CC1)[C@@H](C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CO ZINC000095898908 JG Annotated Anodyne CO[C@H](CN(C)C(=O)C1CC1)[C@@H](C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CO ZINC000095898909 JG Annotated Anodyne CO[C@H](CN(C)C(=O)C1CC1)[C@H](C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CO ZINC000095898910 JG Annotated Anodyne CO[C@@H](CN(C)C(=O)C1CC1)[C@H](C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CO ZINC000095898911 JG Annotated Anodyne CO[C@H](CN(C)C(=O)C1CC1)[C@H](C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CO ZINC000095898912 JG Annotated Anodyne CO[C@@H](CN(C)C(=O)C1CC1)[C@@H](C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CO ZINC000095898913 JG Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@H](C)CN(C(=O)Nc1ccccc1F)[C@H](C)CO ZINC000095898914 JG Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H](C)CN(C(=O)Nc1ccccc1F)[C@@H](C)CO ZINC000095898915 JG Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H](C)CN(C(=O)Nc1ccccc1F)[C@H](C)CO ZINC000095898916 JG Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H](C)CN(C(=O)Nc1ccccc1F)[C@H](C)CO ZINC000095898917 JG Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@H](C)CN(C(=O)Nc1ccccc1F)[C@@H](C)CO ZINC000095898918 JG Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@H](C)CN(C(=O)Nc1ccccc1F)[C@@H](C)CO ZINC000095898919 JG Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H](C)CN(C(=O)Nc1ccccc1F)[C@@H](C)CO ZINC000095898920 JG Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@H](C)CN(C(=O)Nc1ccccc1F)[C@H](C)CO ZINC000095898921 JG Annotated Anodyne CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095898922 JG Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@H](C)CN(C(=O)Nc1ccccc1F)[C@H](C)CO ZINC000095898943 JG Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@@H](C)CN(C(=O)Nc1ccccc1F)[C@@H](C)CO ZINC000095898944 JG Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@H](C)CN(C(=O)Nc1ccccc1F)[C@@H](C)CO ZINC000095898945 JG Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@@H](C)CN(C(=O)Nc1ccccc1F)[C@H](C)CO ZINC000095898946 JG Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@@H](C)CN(C(=O)Nc1ccccc1F)[C@H](C)CO ZINC000095898947 JG Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@H](C)CN(C(=O)Nc1ccccc1F)[C@@H](C)CO ZINC000095898948 JG Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@@H](C)CN(C(=O)Nc1ccccc1F)[C@@H](C)CO ZINC000095898949 JG Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@H](C)CN(C(=O)Nc1ccccc1F)[C@H](C)CO ZINC000095898950 JG Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccccc1)[C@H](C)CN(C(=O)Nc1ccccc1F)[C@H](C)CO ZINC000095899019 JG Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccccc1)[C@@H](C)CN(C(=O)Nc1ccccc1F)[C@H](C)CO ZINC000095899020 JG Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccccc1)[C@@H](C)CN(C(=O)Nc1ccccc1F)[C@@H](C)CO ZINC000095899021 JG Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccccc1)[C@H](C)CN(C(=O)Nc1ccccc1F)[C@@H](C)CO ZINC000095899022 JG Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccccc1)[C@@H](C)CN(C(=O)Nc1ccccc1F)[C@H](C)CO ZINC000095899023 JG Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccccc1)[C@H](C)CN(C(=O)Nc1ccccc1F)[C@H](C)CO ZINC000095899024 JG Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccccc1)[C@H](C)CN(C(=O)Nc1ccccc1F)[C@@H](C)CO ZINC000095899025 JG Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccccc1)[C@@H](C)CN(C(=O)Nc1ccccc1F)[C@@H](C)CO ZINC000095899026 JG Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccccc1)[C@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899035 JG Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccccc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899036 JG Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccccc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899037 JG Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccccc1)[C@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899038 JG Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccccc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899039 JG Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccccc1)[C@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899040 JG Annotated Anodyne CO[C@@H](CN(C)S(=O)(=O)c1ccccc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899041 JG Annotated Anodyne CO[C@H](CN(C)S(=O)(=O)c1ccccc1)[C@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899042 JG Annotated Anodyne CO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899232 JG Annotated Anodyne CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899233 JG Annotated Anodyne CO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899234 JG Annotated Anodyne CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899235 JG Annotated Anodyne CO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899236 JG Annotated Anodyne CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899237 JG Annotated Anodyne CO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899238 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899239 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899240 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095899249 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095899250 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095899251 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095899252 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095899253 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095899254 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095899255 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095899256 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095899268 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCC(F)(F)F ZINC000095899269 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095899270 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095899271 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCC(F)(F)F ZINC000095899272 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095899312 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095899313 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095899314 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095899315 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095899316 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095899394 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095899395 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095899396 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095899397 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095899398 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095899399 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095899400 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899405 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899406 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899407 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899408 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899431 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899432 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899433 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899434 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899435 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899436 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899437 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899438 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899453 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899454 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899455 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899456 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899457 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899458 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899459 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899460 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095899502 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccncc1 ZINC000095899503 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095899504 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccncc1 ZINC000095899505 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095899506 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095899507 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccncc1 ZINC000095899508 JG Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899509 JG Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899510 JG Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899511 JG Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899512 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095899515 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccncc1 ZINC000095899516 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095899517 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccncc1 ZINC000095899518 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095899519 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccncc1 ZINC000095899520 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899551 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899552 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899553 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899554 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899555 JG Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899556 JG Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899557 JG Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899558 JG Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899559 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cc(F)ccc1F ZINC000095899576 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cc(F)ccc1F ZINC000095899577 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cc(F)ccc1F ZINC000095899578 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cc(F)ccc1F ZINC000095899579 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cc(F)ccc1F ZINC000095899580 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cc(F)ccc1F ZINC000095899581 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cc(F)ccc1F ZINC000095899582 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cc(F)ccc1F ZINC000095899583 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCc4ccccc4C3)O[C@@H](CO)[C@H]1O2)C1CCC1 ZINC000095899584 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@@H]1O2)C1CCC1 ZINC000095899585 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@@H](CO)[C@H]1O2)C1CCC1 ZINC000095899586 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@@H]1O2)C1CCC1 ZINC000095899587 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCc4ccccc4C3)O[C@@H](CO)[C@@H]1O2)C1CCC1 ZINC000095899588 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@H]1O2)C1CCC1 ZINC000095899589 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@@H](CO)[C@@H]1O2)C1CCC1 ZINC000095899590 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@H]1O2)C1CCC1 ZINC000095899591 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095899695 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)NCC(F)(F)F ZINC000095899696 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095899697 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095899698 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1)NCC(F)(F)F ZINC000095899699 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095899714 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095899715 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095899716 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095899717 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095899718 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095899719 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095899720 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095899721 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095899759 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095899760 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095899761 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095899762 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095899763 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095899764 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2)c1ccc2c(c1)OCO2 ZINC000095899765 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2)c1ccc2c(c1)OCO2 ZINC000095899766 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2)c1ccc2c(c1)OCO2 ZINC000095899767 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2)c1ccc2c(c1)OCO2 ZINC000095899768 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2)c1ccc2c(c1)OCO2 ZINC000095899769 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2)c1ccc2c(c1)OCO2 ZINC000095899770 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2)c1ccc2c(c1)OCO2 ZINC000095899771 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2)c1ccc2c(c1)OCO2 ZINC000095899772 JG Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(OC)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899842 JG Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(OC)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899843 JG Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(OC)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899844 JG Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(OC)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899845 JG Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(OC)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899846 JG Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(OC)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899847 JG Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(OC)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899848 JG Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(OC)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899849 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095899875 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095899876 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095899877 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095899878 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095899879 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095899880 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095899881 JG Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899889 JG Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899890 JG Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899891 JG Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899892 JG Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899893 JG Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899894 JG Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899895 JG Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899896 JG Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@@H]3c4cc(NC(=O)CC5CC5)ccc4O[C@@H]3[C@H](CO)O2)cc1 ZINC000095899936 JG Annotated Anodyne COc1ccc(CNC(=O)C[C@@H]2C[C@@H]3c4cc(NC(=O)CC5CC5)ccc4O[C@@H]3[C@H](CO)O2)cc1 ZINC000095899937 JG Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@H]3c4cc(NC(=O)CC5CC5)ccc4O[C@H]3[C@@H](CO)O2)cc1 ZINC000095899938 JG Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@H]3c4cc(NC(=O)CC5CC5)ccc4O[C@H]3[C@H](CO)O2)cc1 ZINC000095899939 JG Annotated Anodyne COc1ccc(CNC(=O)C[C@@H]2C[C@@H]3c4cc(NC(=O)CC5CC5)ccc4O[C@@H]3[C@@H](CO)O2)cc1 ZINC000095899940 JG Annotated Anodyne COc1ccc(CNC(=O)C[C@@H]2C[C@H]3c4cc(NC(=O)CC5CC5)ccc4O[C@H]3[C@H](CO)O2)cc1 ZINC000095899941 JG Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@@H]3c4cc(NC(=O)CC5CC5)ccc4O[C@@H]3[C@@H](CO)O2)cc1 ZINC000095899942 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095900292 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095900293 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095900294 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095900295 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095900296 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095900297 JG Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@@H]1O2 ZINC000095900420 JG Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@@H](CO)[C@H]1O2 ZINC000095900421 JG Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@@H]1O2 ZINC000095900422 JG Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCc4ccccc4C3)O[C@@H](CO)[C@@H]1O2 ZINC000095900423 JG Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@H]1O2 ZINC000095900424 JG Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@@H](CO)[C@@H]1O2 ZINC000095900425 JG Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@H]1O2 ZINC000095900426 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095900457 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095900458 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095900459 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095900460 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095900461 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095900462 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095900463 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095900464 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900473 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900474 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900475 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900476 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900477 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900478 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900479 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cccnc1 ZINC000095900578 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cccnc1 ZINC000095900579 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cccnc1 ZINC000095900580 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cccnc1 ZINC000095900581 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccnc1 ZINC000095900582 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccnc1 ZINC000095900583 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccnc1 ZINC000095900584 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccnc1 ZINC000095900585 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cc(F)ccc1F ZINC000095900698 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cc(F)ccc1F ZINC000095900699 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cc(F)ccc1F ZINC000095900700 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cc(F)ccc1F ZINC000095900701 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cc(F)ccc1F ZINC000095900702 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cc(F)ccc1F ZINC000095900703 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cc(F)ccc1F ZINC000095900704 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cc(F)ccc1F ZINC000095900705 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900758 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900759 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900760 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900761 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900762 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900763 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900764 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900765 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095900831 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095900832 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095900833 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095900834 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095900835 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095900836 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095900837 JG Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900838 JG Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900839 JG Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900840 JG Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900841 JG Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900842 JG Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900843 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095900859 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095900860 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095900861 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095900862 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095900863 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095900864 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095900865 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095900866 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)NCC4CC4)O[C@@H](CO)[C@H]2O3)cc1 ZINC000095901067 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)NCC4CC4)O[C@H](CO)[C@@H]2O3)cc1 ZINC000095901068 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@@H](CC(=O)NCC4CC4)O[C@@H](CO)[C@H]2O3)cc1 ZINC000095901069 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)NCC4CC4)O[C@@H](CO)[C@@H]2O3)cc1 ZINC000095901070 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)NCC4CC4)O[C@@H](CO)[C@@H]2O3)cc1 ZINC000095901071 JG Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)NCC4CC4)O[C@H](CO)[C@H]2O3)cc1 ZINC000095901072 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095901152 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095901153 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095901154 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095901155 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095901156 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095901157 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095901158 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095901159 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095901257 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095901258 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095901259 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095901260 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095901261 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095901262 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095901263 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095901264 JG Annotated Anodyne O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095901343 JG Annotated Anodyne O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095901344 JG Annotated Anodyne O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095901345 JG Annotated Anodyne O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095901346 JG Annotated Anodyne O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095901347 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095901363 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095901364 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095901365 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095901366 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095901367 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095901368 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095901369 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095901370 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@@H]1O2)c1cccnc1 ZINC000095901543 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@@H]1O2)c1cccnc1 ZINC000095901544 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@@H](CO)[C@@H]1O2)c1cccnc1 ZINC000095901545 JG Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@H]1O2)c1cccnc1 ZINC000095901546 JG Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901666 JG Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901667 JG Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901668 JG Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901669 JG Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901670 JG Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901671 JG Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901672 JG Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901673 JG Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901674 JG Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901675 JG Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901676 JG Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901677 JG Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901678 JG Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901679 JG Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901680 JG Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901681 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095901689 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095901690 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095901691 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095901692 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095901693 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095901694 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095901695 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095901696 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095901747 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095901748 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095901749 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095901750 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095901751 JG Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095901752 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095901753 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095901754 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095901825 JG Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095901826 JG Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095901827 JG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095901828 JG Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@@H]3[C@H](CO)O2)cc1 ZINC000095901847 JG Annotated Anodyne COc1ccc(CNC(=O)C[C@@H]2C[C@@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@@H]3[C@H](CO)O2)cc1 ZINC000095903104 JG Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@H]3[C@@H](CO)O2)cc1 ZINC000095903106 JG Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@H]3[C@H](CO)O2)cc1 ZINC000095903108 JG Annotated Anodyne COc1ccc(CNC(=O)C[C@@H]2C[C@@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@@H]3[C@@H](CO)O2)cc1 ZINC000095903111 JG Annotated Anodyne COc1ccc(CNC(=O)C[C@@H]2C[C@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@H]3[C@H](CO)O2)cc1 ZINC000095903113 JG Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@@H]3[C@@H](CO)O2)cc1 ZINC000095903116 JG Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095903128 JG Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095903130 JG Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095903133 JG Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095903134 JG Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1 ZINC000095903136 JG Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1 ZINC000095903137 JG Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095903139 JG Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@@H](CCn3cc(-c4ccc(OC)cc4)nn3)O[C@H]2CO)cc1 ZINC000095904043 JG Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@H](CCn3cc(-c4ccc(OC)cc4)nn3)O[C@@H]2CO)cc1 ZINC000095904044 JG Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@H](CCn3cc(-c4ccc(OC)cc4)nn3)O[C@H]2CO)cc1 ZINC000095904045 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095904483 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095904484 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095904485 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095904486 JG Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccc(F)cc1 ZINC000095904627 JG Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccc(F)cc1 ZINC000095904628 JG Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccc(F)cc1 ZINC000095904629 JG Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccc(F)cc1 ZINC000095904630 JG Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccc(F)cc1 ZINC000095904631 JG Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccc(F)cc1 ZINC000095904632 JG Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccc(F)cc1 ZINC000095904633 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO ZINC000095904883 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO ZINC000095904886 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO ZINC000095904888 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO ZINC000095904890 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO ZINC000095904891 JG Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO ZINC000095904892 JG Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095905167 JG Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095905168 JG Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095905169 JG Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095905170 JG Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095905171 JG Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095905172 JG Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095905173 JG Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095905174 JG Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO)c1ccc(Cl)cc1 ZINC000095905345 JG Annotated Anodyne O=S(=O)(N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO)c1ccc(Cl)cc1 ZINC000095905346 JG Annotated Anodyne O=S(=O)(N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO)c1ccc(Cl)cc1 ZINC000095905347 JG Annotated Anodyne O=S(=O)(N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO)c1ccc(Cl)cc1 ZINC000095905348 JG Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO)c1ccc(Cl)cc1 ZINC000095905349 JG Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO)c1ccc(Cl)cc1 ZINC000095905350 JG Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO)c1ccc(Cl)cc1 ZINC000095905351 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)Nc3ccc(Cl)cc3)O[C@H]2CO)cc1 ZINC000095906136 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)Nc3ccc(Cl)cc3)O[C@@H]2CO)cc1 ZINC000095906137 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)Nc3ccc(Cl)cc3)O[C@H]2CO)cc1 ZINC000095906138 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)Nc3ccc(Cl)cc3)O[C@@H]2CO)cc1 ZINC000095906139 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)Nc3ccc(Cl)cc3)O[C@H]2CO)cc1 ZINC000095906140 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)Nc3ccc(Cl)cc3)O[C@H]2CO)cc1 ZINC000095906141 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)Nc3ccc(Cl)cc3)O[C@@H]2CO)cc1 ZINC000095906142 JG Annotated Anodyne O=C(Nc1cccc(F)c1)N[C@@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO ZINC000095906364 JG Annotated Anodyne O=C(Nc1cccc(F)c1)N[C@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO ZINC000095906365 JG Annotated Anodyne O=C(Nc1cccc(F)c1)N[C@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO ZINC000095906366 JG Annotated Anodyne O=C(Nc1cccc(F)c1)N[C@@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO ZINC000095906367 JG Annotated Anodyne O=C(Nc1cccc(F)c1)N[C@@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO ZINC000095906368 JG Annotated Anodyne O=C(Nc1cccc(F)c1)N[C@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO ZINC000095906369 JG Annotated Anodyne O=C(Nc1cccc(F)c1)N[C@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO ZINC000095906370 JG Annotated Anodyne O=C(Nc1cccc(F)c1)N[C@@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO ZINC000095906371 JG Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO ZINC000095906474 JG Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO ZINC000095906475 JG Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO ZINC000095906476 JG Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO ZINC000095906477 JG Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO ZINC000095906478 JG Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO ZINC000095906479 JG Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO ZINC000095906480 JG Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3OC)nn2)O[C@H]1CO ZINC000095906599 JG Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3OC)nn2)O[C@H]1CO ZINC000095906600 JG Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1CC[C@H](CCn2cc(-c3ccccc3OC)nn2)O[C@@H]1CO ZINC000095906601 JG Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3OC)nn2)O[C@H]1CO ZINC000095906602 JG Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3OC)nn2)O[C@@H]1CO ZINC000095906603 JG Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@@H](CCn3cc(-c4ccccc4F)nn3)O[C@H]2CO)cc1 ZINC000095906789 JG Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@@H](CCn3cc(-c4ccccc4F)nn3)O[C@@H]2CO)cc1 ZINC000095906790 JG Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@@H](CCn3cc(-c4ccccc4F)nn3)O[C@H]2CO)cc1 ZINC000095906791 JG Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@H](CCn3cc(-c4ccccc4F)nn3)O[C@@H]2CO)cc1 ZINC000095906792 JG Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@H](CCn3cc(-c4ccccc4F)nn3)O[C@@H]2CO)cc1 ZINC000095906793 JG Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@H](CCn3cc(-c4ccccc4F)nn3)O[C@H]2CO)cc1 ZINC000095906794 JG Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@H](CCn3cc(-c4ccccc4F)nn3)O[C@H]2CO)cc1 ZINC000095906795 JG Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@@H](CCn3cc(-c4ccccc4F)nn3)O[C@@H]2CO)cc1 ZINC000095906796 JG Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[C@H](CO)O2)nn1 ZINC000095906952 JG Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[C@@H](CO)O2)nn1 ZINC000095906953 JG Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[C@@H](CO)O2)nn1 ZINC000095906954 JG Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[C@H](CO)O2)nn1 ZINC000095906955 JG Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[C@@H](CO)O2)nn1 ZINC000095906956 JG Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[C@H](CO)O2)nn1 ZINC000095906957 JG Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[C@@H](CO)O2)nn1 ZINC000095906958 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095907326 JG Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095907327 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095907328 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095907329 JG Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095907330 JG Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095907331 JG Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095907332 JG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095907333 JG Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@@H](CCn3cc(-c4ccc(F)cc4)nn3)O[C@H]2CO)cc1 ZINC000095907547 JG Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@H](CCn3cc(-c4ccc(F)cc4)nn3)O[C@@H]2CO)cc1 ZINC000095907548 JG Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@@H](CCn3cc(-c4ccc(F)cc4)nn3)O[C@H]2CO)cc1 ZINC000095907549 JG Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@H](CCn3cc(-c4ccc(F)cc4)nn3)O[C@@H]2CO)cc1 ZINC000095907550 JG Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@H](CCn3cc(-c4ccc(F)cc4)nn3)O[C@H]2CO)cc1 ZINC000095907551 JG Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@@H](CCn3cc(-c4ccc(F)cc4)nn3)O[C@@H]2CO)cc1 ZINC000095907552 JG Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@H](CCn3cc(-c4ccc(F)cc4)nn3)O[C@H]2CO)cc1 ZINC000095907553 JG Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@@H](CCn3cc(-c4ccc(F)cc4)nn3)O[C@@H]2CO)cc1 ZINC000095907554 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)Nc2cccc(Cl)c2)[C@H](CO)O1 ZINC000095907934 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@H](NC(=O)Nc2cccc(Cl)c2)[C@H](CO)O1 ZINC000095907935 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)Nc2cccc(Cl)c2)[C@@H](CO)O1 ZINC000095907936 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)Nc2cccc(Cl)c2)[C@@H](CO)O1 ZINC000095907937 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)Nc2cccc(Cl)c2)[C@H](CO)O1 ZINC000095907938 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@H](NC(=O)Nc2cccc(Cl)c2)[C@@H](CO)O1 ZINC000095907939 JG Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)Nc2cccc(Cl)c2)[C@H](CO)O1 ZINC000095907940 JG Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccc(Cl)c(Cl)c2)O[C@H]1CO ZINC000095908102 JG Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccc(Cl)c(Cl)c2)O[C@@H]1CO ZINC000095908103 JG Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccc(Cl)c(Cl)c2)O[C@H]1CO ZINC000095908104 JG Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccc(Cl)c(Cl)c2)O[C@@H]1CO ZINC000095908105 JG Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccc(Cl)c(Cl)c2)O[C@H]1CO ZINC000095908106 JG Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccc(Cl)c(Cl)c2)O[C@@H]1CO ZINC000095908107 JG Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccc(Cl)c(Cl)c2)O[C@@H]1CO ZINC000095908108 JG Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccc(Cl)c(Cl)c2)O[C@H]1CO ZINC000095908109 JG Annotated Anodyne C/C=C(\C)C(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CC[C@H](O)[C@]21CO1 ZINC000095909381 JG Annotated Anodyne in-vitro biogenic CCN1C[C@]2(C)CC[C@@H](OC)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5C(=O)O6)[C@@H]([C@@H](OC(=O)c5ccccc5)[C@@H]32)[C@@H]14 ZINC000095909751 JG Annotated Anodyne in-vitro biogenic C=C1c2ccoc2C[C@@H]2[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C ZINC000095909946 JG Annotated Mild in-vitro biogenic C[C@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C ZINC000095910593 JG Annotated Mild in-vitro biogenic O=C1C=C[C@H](O)[C@H]([C@H](O)[C@@H](c2ccccc2)c2c(O)cc3c(c2O)C(=O)C[C@@H](c2ccccc2)O3)O1 ZINC000095911781 JG Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1c2cc3c(c4c2[C@@]2(CO4)C(=O)C(OC)=C(OC)C=C2[C@H](O)[C@@H](C)[C@H]1C)OCO3 ZINC000095911887 JG Annotated Mild in-vitro biogenic OC[C@H]1Oc2ccc([C@H]3OC[C@@H]4[C@@H](c5ccc(O)c(O)c5)OC[C@H]34)cc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000095912466 JG Annotated Clean in-vitro biogenic C[C@H]1C[C@]2(OC(=O)c3ccccc3)C(=O)/C(CO)=C/[C@@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@H]2[C@H]1O)C3(C)C ZINC000095912539 JG Annotated Mild in-vitro biogenic COC1=C(OC)[C@@]23O[C@@H](c4cc(OC)c(OC)c(OC)c42)[C@H](C)[C@H](C)[C@@H](OC(C)=O)C3=CC1=O ZINC000095912561 JG Annotated Mild in-vitro biogenic COc1cc(C(=O)O[C@H]2C[C@@]3(C)O[C@H]3C[C@@]3(C)[C@@H]2[C@](O)(C(C)C)C[C@H]3OC(C)=O)ccc1O ZINC000095912657 JG Annotated Anodyne in-vitro biogenic C=C1[C@H]2C[C@H]2[C@]2(C)C[C@@]3([C@@]45C[C@@]6(C)[C@@H]7C[C@@H]7C(=C)[C@@H]6[C@@H](O)C4=C(C)C(=O)O5)OC(=O)C(C)=C3[C@H](O)[C@H]12 ZINC000095912871 JG Annotated Mild in-vitro biogenic COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](O)[C@@H](O)[C@@H]3CCC[C@@H](C[C@H](O)CC2)N31 ZINC000095913408 JG Annotated Anodyne in-vitro biogenic C=C1[C@@H]2C[C@@H]3OC(C)(C)O[C@H]4CCC(C)(C)[C@H]5[C@H](OC(C)=O)[C@@]6(O)OC[C@@]45[C@H]3[C@@]6(C2)[C@@H]1OC(C)=O ZINC000095913449 JG Annotated Mild in-vitro biogenic CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@H]2[C@@H]3CC=C4C(=COC(=O)C4(C)C)[C@]3(C)C(=O)C[C@@]21C ZINC000095913837 JG Annotated Mild in-vitro biogenic OC[C@H]1Oc2cc([C@H]3OC[C@@H]4[C@@H](c5ccc(O)c(O)c5)OC[C@H]34)ccc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000095914537 JG Annotated Clean in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1[C@@H]2O[C@]2(C)CC[C@H]2O[C@@]2(C)C[C@H]2OC(=O)[C@](C)(OC(=O)/C(C)=C\C)[C@H]12 ZINC000095914886 JG Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1[C@@H]2O[C@@]2(C)CC[C@H]2O[C@@]2(C)C[C@H]2OC(=O)[C@](C)(OC(=O)/C(C)=C\C)[C@H]12 ZINC000095914887 JG Annotated Anodyne in-vitro biogenic CO[C@H]1C=C[C@@]2(C(=O)[C@H](CCc3ccc(O)cc3)Cc3cc4c(cc32)OCO4)[C@H](N(C)C=O)C1 ZINC000095918593 JG Annotated Anodyne in-vitro biogenic C=C(C)O[C@H]1/C=C2\C[C@@](C)([C@@H](OC(C)=O)C[C@@H]2O)[C@@H](O)C(=O)C2=C(C)[C@@H](OC(C)=O)C[C@@H]1C2(C)C ZINC000095919083 JG Annotated Mild in-vitro biogenic CC(/C=C/C(=O)O[C@@H]1C=CC(=O)O[C@@H]1[C@@H](C)C[C@@H](C)C[C@@]1(C)O[C@H]1C)=C\[C@@H](CO)CCO ZINC000095919111 JG Annotated Anodyne in-vitro biogenic C[C@H]1C[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@@]2(C)C(=O)C=C[C@H](O)C2=C[C@@H]4O)OC(=O)[C@@H]1C ZINC000095919201 JG Annotated Mild in-vitro biogenic CC(=O)Nc1c(Cl)cc(CN/C(N)=N\C(=O)Cn2ccc3ccc(C#N)cc32)cc1Cl ZINC000095920504 JG Annotated Mild C[C@@H](OC(=O)N1C(=O)N[C@@H]2[C@@H](CCCCC(=O)O)SC[C@@H]21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000095920565 JG Annotated Bother C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1CCCN1[C@H]2c1ncc(-c2ccc(Cl)s2)o1 ZINC000095920597 JG Annotated Bother O=C(NC1=c2ccccc2=C2C1=CC=C[C@@H]2c1nc2ccncc2[nH]1)c1cccc2ncccc12 ZINC000095920692 JG Annotated Anodyne O=C(NC1=c2ccccc2=C2C1=CC=C[C@H]2c1nc2ccncc2[nH]1)c1cccc2ncccc12 ZINC000095920693 JG Annotated Anodyne Cc1ccc(NC(=O)[C@H](COC(C)C)Oc2ncnc3c2cnn3-c2ncccc2Cl)nc1 ZINC000095921149 JG Annotated Anodyne COc1ccc(Oc2cc(NCc3nc4ccccc4[nH]3)nc(N3CCNC(=O)C3)n2)c(Cl)c1 ZINC000095921317 JG Annotated Anodyne CN1CCN(c2ccc(Nc3cc(=O)n(-c4ccc(Cl)cc4)nc3-c3nc[nH]n3)cc2)CC1 ZINC000095921397 JG Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](CNC(=S)Nc5ccc(Cl)cc5)(O4)[C@@H]3C2=O)cc1 ZINC000095926493 JG Annotated Anodyne COC(=O)[C@H](C(C)C)N1CCc2nnn(CC3CCCCC3)c2-c2cc(F)ccc2S1(=O)=O ZINC000096019434 JG Annotated Anodyne COC(=O)[C@H](C(C)C)N1CCc2nnn(Cc3ccc(C)cc3)c2-c2cc(F)ccc2S1(=O)=O ZINC000096019436 JG Annotated Anodyne COC(=O)[C@H](C(C)C)N1CCc2nnn(Cc3ccc(C)cc3)c2-c2ccccc2S1(=O)=O ZINC000096019440 JG Annotated Anodyne COC(=O)[C@H](C(C)C)N1CCc2nnn(CC3CCCCC3)c2-c2ccccc2S1(=O)=O ZINC000096019441 JG Annotated Anodyne COC(=O)[C@H](C(C)C)N1Cc2nnn(CC3CCCCC3)c2-c2cc(F)ccc2S1(=O)=O ZINC000096019901 JG Annotated Anodyne COC(=O)[C@H](CC(C)C)N1Cc2nnn(Cc3ccccc3)c2-c2cc(F)ccc2S1(=O)=O ZINC000096019903 JG Annotated Anodyne COC(=O)[C@H](C(C)C)N1Cc2nnn(Cc3ccc(C)cc3)c2-c2cc(F)ccc2S1(=O)=O ZINC000096019904 JG Annotated Anodyne COC(=O)[C@H](C(C)C)N1Cc2nnn(Cc3ccc(C)cc3)c2-c2ccccc2S1(=O)=O ZINC000096019970 JG Annotated Anodyne COC(=O)[C@H](CC(C)C)N1Cc2nnn(Cc3ccccc3)c2-c2ccccc2S1(=O)=O ZINC000096019975 JG Annotated Anodyne CCCCCCN1CCS(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)[C@H](C(=O)OC)C1 ZINC000096020342 JG Annotated Anodyne C[C@@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(Cc2ccccc2)nn1 ZINC000096020633 JG Annotated Anodyne C[C@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(Cc2ccccc2)nn1 ZINC000096020634 JG Annotated Anodyne C[C@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(Cc2ccc(F)cc2)nn1 ZINC000096020643 JG Annotated Anodyne C[C@@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(Cc2ccc(F)cc2)nn1 ZINC000096020644 JG Annotated Anodyne Cc1ccccc1Cn1cc(CN2[C@@H](C)COc3cc(Br)ccc3S2(=O)=O)nn1 ZINC000096020666 JG Annotated Anodyne Cc1ccccc1Cn1cc(CN2[C@H](C)COc3cc(Br)ccc3S2(=O)=O)nn1 ZINC000096020667 JG Annotated Anodyne Cc1ccc(Cn2cc(CN3[C@@H](C)COc4cc(Br)ccc4S3(=O)=O)nn2)cc1 ZINC000096020673 JG Annotated Anodyne Cc1ccc(Cn2cc(CN3[C@H](C)COc4cc(Br)ccc4S3(=O)=O)nn2)cc1 ZINC000096020674 JG Annotated Anodyne COc1ccc(Cn2cc(CN3[C@@H](CC(C)C)COc4cccc(F)c4S3(=O)=O)nn2)cc1 ZINC000096020708 JG Annotated Anodyne COc1ccc(Cn2cc(CN3[C@@H](C)COc4cc(Br)ccc4S3(=O)=O)nn2)cc1 ZINC000096020709 JG Annotated Anodyne COc1ccc(Cn2cc(CN3[C@H](C)COc4cc(Br)ccc4S3(=O)=O)nn2)cc1 ZINC000096020710 JG Annotated Anodyne CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@](O)([C@@H](C)[C@@H](C)O)C(C(=O)O)=C3C2=CO1 ZINC000096061833 JG Annotated Mild in-vitro CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@](O)([C@@H](C)[C@@H](C)O)C(C(=O)O)=C3C2=CO1 ZINC000096061834 JG Annotated Mild in-vitro CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@](O)([C@H](C)[C@@H](C)O)C(C(=O)O)=C3C2=CO1 ZINC000096061835 JG Annotated Mild in-vitro CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@](O)([C@H](C)[C@@H](C)O)C(C(=O)O)=C3C2=CO1 ZINC000096061836 JG Annotated Mild in-vitro CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000096085560 JG Annotated Mild in-vitro COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](OC(C)=O)[C@H]2[C@](C)(O)C=CC(=O)[C@@]21C ZINC000096085755 JG Annotated Mild in-vitro COC(=O)c1ccc(O)c(NC(=O)CC[C@]2(C)C(=O)C=C[C@]34C[C@H]5C[C@H](O[C@@]5(C)C3)[C@H]42)c1O ZINC000096085960 JG Annotated Mild in-vitro C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@@H]2C[C@@H]1C[C@H]3O ZINC000096085971 JG Annotated Mild in-vitro C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@@H]2C[C@@H]1[C@@H](O)C3 ZINC000096085973 JG Annotated Mild in-vitro Cc1cccc(NC(=O)[C@H]2S/C(=N\c3c(C)cccc3C)C(C(=O)N3CCOCC3)=C2N)c1 ZINC000096129278 JG Annotated Mild Cc1cccc(NC(=O)[C@@H]2S/C(=N\c3c(C)cccc3C)C(C(=O)N3CCOCC3)=C2N)c1 ZINC000096129279 JG Annotated Mild COc1cccc([C@@H]2C3=C(NN/C3=C3\C=C(Cl)C(C)=CC3=O)C(=O)N2Cc2cccnc2)c1 ZINC000096142798 JG Annotated Mild COc1cccc([C@H]2C3=C(NN/C3=C3\C=C(Cl)C(C)=CC3=O)C(=O)N2Cc2cccnc2)c1 ZINC000096142799 JG Annotated Mild O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@@H](NS(=O)(=O)Cc3ccccc3)CN12 ZINC000096168530 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CN(c4ccc(OC(F)(F)F)cc4)C(=O)N3C2)cc1 ZINC000096168531 JG Annotated Anodyne O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@@H](NS(=O)(=O)c3ccccc3F)CN12 ZINC000096168535 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CN(c4ccc(OC(F)(F)F)cc4)C(=O)N3C2)cc1 ZINC000096168541 JG Annotated Anodyne O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@H](NS(=O)(=O)c3ccccc3F)CN12 ZINC000096168550 JG Annotated Anodyne O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@H](NS(=O)(=O)Cc3ccccc3)CN12 ZINC000096168552 JG Annotated Anodyne O=C1[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]2CCN1c1ccc(OC(F)(F)F)cc1 ZINC000096169508 JG Annotated Anodyne O=C1[C@H]2CN(S(=O)(=O)c3cccnc3Cl)C[C@H]2CCN1c1ccc(OCC(F)(F)F)cc1 ZINC000096169511 JG Annotated Anodyne O=C1[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2CCN1c1ccc(OCC(F)(F)F)cc1 ZINC000096169512 JG Annotated Anodyne CN1CCN(c2ccc(Cc3nc4ccc(-c5ccc(S(C)(=O)=O)cc5)cn4n3)cc2)CC1 ZINC000096169563 JG Annotated Anodyne CN1CCN(c2ccc(Cc3nc4c(NCc5ccccc5S(C)(=O)=O)cccn4n3)cc2)CC1 ZINC000096169661 JG Annotated Anodyne CN1CCN(c2cccc(Cc3nc4c(NCc5ccccc5S(C)(=O)=O)cccn4n3)c2)CC1 ZINC000096169662 JG Annotated Anodyne CN1CCN(c2cccc(Cc3nc4c(Oc5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1 ZINC000096169733 JG Annotated Anodyne CN(CCO)c1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1 ZINC000096170158 JG Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CCNCC2)nc1 ZINC000096170177 JG Annotated Anodyne CC(=O)N1CCC(NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)CC1 ZINC000096170288 JG Annotated Anodyne CC[S@](=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](COC)[C@@H](C)O)n2)cc1 ZINC000096170622 JG Annotated Anodyne Cc1nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)nc(N2CCCC2)n1 ZINC000096172438 JG Annotated Anodyne Cc1nc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)nc(N2CCCC2)n1 ZINC000096172439 JG Annotated Anodyne Cc1nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)nc(N2CCCC2)n1 ZINC000096172440 JG Annotated Anodyne Cc1nc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@H]2c2ccccc2)C3(C)C)nc(N2CCCC2)n1 ZINC000096172441 JG Annotated Anodyne Cc1nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)cc(N2CCOCC2)n1 ZINC000096172467 JG Annotated Anodyne CCOc1ncc(F)c(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 ZINC000096172470 JG Annotated Anodyne CCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(C)c[n+]([O-])c4C)c4nccnc34)nc2)CC1 ZINC000096173415 JG Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1 ZINC000096174036 JG Annotated Anodyne Cn1ccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)n1 ZINC000096174037 JG Annotated Anodyne CNC(=O)c1c2cc(C3CC3)c(N(C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174191 JG Annotated Anodyne CNC(=O)c1c2cc(C3CC3)c(N(CCCO)S(C)(=O)=O)cc2nn1-c1ccc(Cl)cc1 ZINC000096174196 JG Annotated Anodyne CNc1nc2c(F)cccc2n1-c1nc(N2CCOC[C@H]2C)cc(C(C)(C)[S@](C)(=N)=O)n1 ZINC000096174415 JG Annotated Anodyne CNc1nc2ccc(F)cc2n1-c1nc(N2CCOC[C@H]2C)cc(C(C)(C)[S@@](C)(=N)=O)n1 ZINC000096174416 JG Annotated Anodyne CNc1nc2cc(F)ccc2n1-c1nc(N2CCOC[C@H]2C)cc(C(C)(C)[S@](C)(=N)=O)n1 ZINC000096174418 JG Annotated Anodyne CCN1CCN(CCc2ccc(Nc3nc(-c4cncc(OC)n4)cc4cc[nH]c(=O)c34)cc2)CC1 ZINC000096174457 JG Annotated Anodyne O=C1N=C(N2CCN(CCCCS(=O)(=O)O)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000096174477 JG Annotated Clean COCCOc1ccc2nnc(-c3ccc4cccc(OCC5(F)CCNCC5)c4n3)n2c1 ZINC000096175103 JG Annotated Anodyne CO[C@]1(COc2cc(F)cc3ccc(-c4nnc5ccccn45)nc23)CCCN(CCO)CC1 ZINC000096175107 JG Annotated Anodyne CO[C@@]1(COc2cc(F)cc3ccc(-c4nnc5ccccn45)nc23)CCCN(CCO)CC1 ZINC000096175108 JG Annotated Anodyne CC(C)Nc1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1 ZINC000096176147 JG Annotated Mild C=C(C)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1 ZINC000096176177 JG Annotated Mild CCOc1ccnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12 ZINC000096176201 JG Annotated Mild O=C(NCC#Cc1ccc2nccc(NC3CC3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O ZINC000096176221 JG Annotated Mild CCN(CC)c1ncnc2ccc(C#CCNC(=O)c3cccn([C@H](CO)c4ccccc4)c3=O)cc12 ZINC000096176313 JG Annotated Mild O=C(NCC#Cc1ccc2nccc(-c3cn[nH]c3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O ZINC000096176343 JG Annotated Mild CN(C)c1c(C#N)cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12 ZINC000096176348 JG Annotated Mild CNc1c(C#N)cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12 ZINC000096176359 JG Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3cccnc3N3CCOCC3)cc2)no1 ZINC000096176875 JG Annotated Mild Cc1nc(-c2ccc(N3C(=O)c4[nH]nc(C(C)C)c4[C@@H]3c3cccnc3OCCO)cc2)no1 ZINC000096177054 JG Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(CO)CO)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177265 JG Annotated Anodyne CCCCCS(=O)(=O)NC(=O)C(=O)N1CCC(COc2ccccc2C(C)(C)C)CC1 ZINC000096177569 JG Annotated Anodyne Cc1ccc(F)c(-c2cccc(C(=O)Cc3cnccc3N3C[C@H](C)[C@@H](O)[C@H](N)C3)n2)c1F ZINC000096177656 JG Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Cc3cnccc3N3C[C@H](C)[C@@H](O)[C@H](N)C3)ccc2F)c1F ZINC000096177665 JG Annotated Anodyne C[C@H]1CN(c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)ccc2F)C[C@@H](N)[C@@H]1O ZINC000096177667 JG Annotated Anodyne C[C@H]1CN(c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@@H]1O ZINC000096177739 JG Annotated Anodyne C[C@@H]1CN(c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H](N)[C@H]1O ZINC000096177760 JG Annotated Anodyne C[C@H]1CN(c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](O)[C@@H]1O ZINC000096177763 JG Annotated Anodyne CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(CCc2ccc(S(C)(=O)=O)cc2)s1 ZINC000096258716 JG Annotated Anodyne CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(-c2ccc(S(C)(=O)=O)cc2)s1 ZINC000096258721 JG Annotated Anodyne N#Cc1cnccc1COc1cnc(N2C[C@@H]3CC[C@H](C2)N3C(=O)O[C@@H]2CC(F)(F)C2(F)F)nc1 ZINC000096269989 JG Annotated Mild C[C@@H]1CN(C(=O)O[C@@H]2CC(F)(F)C2(F)F)CCN1c1ncc(OCc2ccncc2C#N)cn1 ZINC000096269990 JG Annotated Mild C[C@@H]1CN(C(=O)O[C@H]2CC(F)(F)C2(F)F)CCN1c1ncc(OCc2ccncc2C#N)cn1 ZINC000096269991 JG Annotated Mild O=C(OCc1ccccc1)N1CC[C@H](n2c(O)cc(=O)n(CCc3cccc(Cl)c3)c2=O)C1 ZINC000096270133 JG Annotated Anodyne CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC(C)(C)C ZINC000096270472 JG Annotated Anodyne O=C(COc1cc(=O)oc2ccccc12)N1CCC(O)(c2ccc(Br)cc2)CC1 ZINC000096271527 JG Annotated Anodyne CCN(CC)Cc1ccc2[nH]c(-c3n[nH]cc3Nc3cc(Cl)nc(S(C)(=O)=O)n3)nc2c1 ZINC000096271623 JG Annotated Anodyne COc1cccc(C(=O)c2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 ZINC000096271781 JG Annotated Anodyne CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 ZINC000096272180 JG Annotated Anodyne CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 ZINC000096272181 JG Annotated Anodyne CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 ZINC000096272182 JG Annotated Anodyne CC(C)[C@@H](NC(=O)[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 ZINC000096272195 JG Annotated Anodyne CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 ZINC000096272210 JG Annotated Anodyne CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 ZINC000096272215 JG Annotated Anodyne CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 ZINC000096272227 JG Annotated Anodyne CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@H]1N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 ZINC000096272228 JG Annotated Anodyne CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(I)cc1 ZINC000096272686 JG Annotated Mild O=C(c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1)C1CC1 ZINC000096272825 JG Annotated Anodyne CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)C[C@@H]2CCC(=O)O)c(Cl)c1 ZINC000096272831 JG Annotated Anodyne CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)C[C@H]2CCC(=O)O)c(Cl)c1 ZINC000096272832 JG Annotated Anodyne CCOC(=O)c1ccc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 ZINC000096272833 JG Annotated Anodyne CCCCc1c(C(=O)NCc2cncn2CC(=O)O)cnn1-c1ncc(C)c(-c2cccs2)n1 ZINC000096273280 JG Annotated Anodyne CCO[C@H]1Oc2ccccc2C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000096273793 JG Annotated Mild CCO[C@@H]1Oc2ccccc2C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000096273794 JG Annotated Mild Fc1ccc(/C=C2\CN(CCN3CCOCC3)CC3=C2NC(=S)N[C@@H]3c2ccc(F)cc2)cc1 ZINC000096282904 JG Annotated Anodyne Fc1ccc(/C=C2\CN(CCN3CCOCC3)CC3=C2NC(=S)N[C@H]3c2ccc(F)cc2)cc1 ZINC000096282905 JG Annotated Anodyne Fc1ccccc1/C=C1\CN(CCN2CCOCC2)CC2=C1NC(=S)N[C@@H]2c1ccccc1F ZINC000096282914 JG Annotated Anodyne Fc1ccccc1/C=C1\CN(CCN2CCOCC2)CC2=C1NC(=S)N[C@H]2c1ccccc1F ZINC000096282915 JG Annotated Anodyne CCc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-n5nccn5)ccc42)C3)nc1 ZINC000096283991 JG Annotated Anodyne COc1ccc2nccc(/C=C/[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1 ZINC000096284039 JG Annotated Anodyne COc1ccc2nccc(CC[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1 ZINC000096284049 JG Annotated Anodyne CN1CCOc2cc(-c3cn(CC(=O)N4CCN(c5ncccn5)CC4)c(-c4ccccc4)n3)ccc21 ZINC000096284528 JG Annotated Anodyne Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5ccc(F)cc5C4)CC3)CC2)ccn1 ZINC000096285174 JG Annotated Anodyne COc1ccc2c(c1)CCCN(C1CCN(C(=O)C3(F)CCN(Cc4ccnc(N)c4)CC3)CC1)C2 ZINC000096285175 JG Annotated Anodyne Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4CCCc5ccccc5C4)CC3)CC2)ccn1 ZINC000096285177 JG Annotated Anodyne CC1(C)CC(=O)C(/C=N/CCN2CCN(C(=O)c3ccc(Br)cc3)CC2)=C(O)C1 ZINC000096316594 JG Annotated Mild N#CC1(C#N)[C@@H](c2ccccc2)O[C@@]2(I)CCCC[C@H]2[C@]1(C#N)C(N)=O ZINC000096336765 JG Annotated Mild N#CC1(C#N)[C@H](c2ccccc2)O[C@@]2(I)CCCC[C@H]2[C@]1(C#N)C(N)=O ZINC000096336767 JG Annotated Mild N#CC1(C#N)[C@@H](c2ccccc2)O[C@@]2(I)CCCC[C@H]2[C@@]1(C#N)C(N)=O ZINC000096336768 JG Annotated Mild N#CC1(C#N)[C@H](c2ccccc2)O[C@@]2(I)CCCC[C@H]2[C@@]1(C#N)C(N)=O ZINC000096336770 JG Annotated Mild COc1c(-c2ccc3c(CNS(C)(=O)=O)coc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C ZINC000096900815 JG Annotated Anodyne CN[C@@H]1C[C@H](c2c(O)c3c(c4c(O)cc(C)cc24)C(=O)c2cccc(O)c2C3=O)O[C@H](C)[C@@H]1CO ZINC000096900886 JG Annotated Clean CCN(CC)CC(=O)Nc1nc2cc3nc(NC(=O)CN(CC)CC)sc3c(N)c2s1 ZINC000096901133 JG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)s2)c1 ZINC000096901595 JG Annotated Anodyne C[C@H]1C[C@]2(O)C(=O)[C@@]3(C)[C@H](O)[C@@H]4[C@H](CC[C@@]3(C)[C@H](O)[C@H]2[C@H]1OC(=O)/C=C/c1ccccc1)C4(C)C ZINC000096901661 JG Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(C(C)=O)cc4)c(OC)c3)N3CCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000096901695 JG Annotated Anodyne CN(C)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@@H](NCCN(C)C)C(C)(C)O2 ZINC000096902227 JG Annotated Bother CN(C)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H](NCCN(C)C)C(C)(C)O2 ZINC000096902228 JG Annotated Bother C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@H]2C[C@@H]1C[C@H]3O ZINC000096902359 JG Annotated Mild CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@@H]2CCCN(C)C2)c1 ZINC000096903455 JG Annotated Anodyne CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@H]2CCCN(C)C2)c1 ZINC000096903456 JG Annotated Anodyne Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)C[C@@H]5C[C@H]6CC[C@@H]5C6)CC4)c(F)c3)C(=O)O2)nn1 ZINC000096903543 JG Annotated Anodyne Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)C[C@H]5C[C@H]6CC[C@@H]5C6)CC4)c(F)c3)C(=O)O2)nn1 ZINC000096903544 JG Annotated Anodyne COc1ccc([C@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@]23SC(=O)NC3=S)cc1OC ZINC000096903770 JG Annotated Anodyne COc1ccc2c(c1)CCC1=C2N=C2SC(S(N)(=O)=O)=NN2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000096907274 JG Annotated Anodyne COc1ccc2c(c1)CCC1=C2N=C2SC(S(N)(=O)=O)=NN2[C@H]1c1ccc(OC)c(OC)c1 ZINC000096907275 JG Annotated Anodyne CC[C@H]1C[C@@H](n2c(=O)nc(-c3cnn(C)c3)c3oc4ncc(-c5cn(C)cn5)cc4c32)CCO1 ZINC000096907414 JG Annotated Anodyne CC[C@H]1C[C@@H](n2c(=O)nc(-c3cnn(C)c3)c3oc4cnc(-c5cn(C)cn5)cc4c32)CCO1 ZINC000096907415 JG Annotated Anodyne CC[C@H]1C[C@@H](n2c(=O)nc(-c3cnn(C)c3)c3oc4ccc(-c5cn(C)cn5)nc4c32)CCO1 ZINC000096907416 JG Annotated Anodyne CCn1cc(-c2nc(=O)n(CC[C@@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000096907427 JG Annotated Anodyne CCn1cc(-c2nc(=O)n(CC[C@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000096907428 JG Annotated Anodyne CC[C@H]1C[C@@H](n2c(=O)nc(-c3cnn(C)c3)c3oc4cnc(-c5cnn(C)c5)cc4c32)CCO1 ZINC000096907429 JG Annotated Anodyne CC[C@H]1C[C@@H](n2c(=O)nc(-c3cnn(C)c3)c3oc4ccc(-c5cnn(C)c5)nc4c32)CCO1 ZINC000096907430 JG Annotated Anodyne CC[C@H]1C[C@@H](n2c(=O)nc(-c3cnn(C)c3)c3oc4cc(C#N)c(-c5cnn(C)c5)nc4c32)CCO1 ZINC000096907432 JG Annotated Mild CN(C)c1ncc(-c2nc(=O)n(CC[C@@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000096907448 JG Annotated Anodyne CN(C)c1ncc(-c2nc(=O)n(CC[C@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000096907449 JG Annotated Anodyne CN(C)c1cnc(-c2nc(=O)n(CC[C@@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000096907450 JG Annotated Anodyne CN(C)c1cnc(-c2nc(=O)n(CC[C@H]3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1 ZINC000096907451 JG Annotated Anodyne O=C(CSc1nnc(NC(=O)C(Cl)Cl)s1)Nc1ccc(Br)cn1 ZINC000096908515 JG Annotated Reactive COC(=O)[C@H](C)Nc1cc(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC ZINC000096908618 JG Annotated Anodyne COC(=O)[C@@H](C)Nc1cc(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC ZINC000096908619 JG Annotated Anodyne COC(=O)C(C)(C)Nc1cc(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC ZINC000096908620 JG Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(N[C@@H](C)C(=O)O)c2)c(OC)c1 ZINC000096908630 JG Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(N[C@H](C)C(=O)O)c2)c(OC)c1 ZINC000096908631 JG Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(NC(C)(C)C(=O)O)c2)c(OC)c1 ZINC000096908632 JG Annotated Anodyne COc1ccc(NS(=O)(=O)/C=C/c2c(OC)cc(OCCCC(=O)O)cc2OC)cc1[N+](=O)[O-] ZINC000096908645 JG Annotated Bother COc1ccc(NS(=O)(=O)/C=C/c2c(OC)cc(OCCCC(=O)O)cc2OC)cc1O ZINC000096908647 JG Annotated Anodyne CCOC(=O)[C@@H]1CS[C@@]2(C(=O)N(C)c3ccc(Br)cc32)N1C(=O)c1ccccc1 ZINC000096908994 JG Annotated Anodyne CN1C(=O)[C@@]2(SC[C@@H](C(=O)O)N2C(=O)C2CCCCC2)c2cc(Br)ccc21 ZINC000096909000 JG Annotated Anodyne COCCn1c(=O)nc(-c2ccnc(N3CCN(C)CC3)c2)c2oc3ccc(Br)cc3c21 ZINC000096909984 JG Annotated Anodyne C[C@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2c(F)c(F)c(F)c(F)c12 ZINC000096917691 JG Annotated Anodyne CN[C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000096921373 JG Annotated Anodyne COc1c(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C ZINC000096922475 JG Annotated Anodyne O=c1cc(CCl)oc(CN2CCN(c3ccc(I)cc3)CC2)c1O ZINC000096922708 JG Annotated Reactive NC(=O)Cn1c2ccccc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c21 ZINC000096922815 JG Annotated Anodyne COc1ccc(-c2cc(C3=Nc4c(C(C)(C)C)nn(CCO)c4C(=O)NC3)ccc2OC)c(OC)n1 ZINC000096922846 JG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(n3cc(CN4CCc5sccc5C4)nn3)CC2)cc1 ZINC000096924150 JG Annotated Anodyne C=C1CC[C@@H]2[C@](C)(COC(=O)CCN3CCOCC3)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096924250 JG Annotated Mild COc1c(C(=O)Nc2ccc(OS(C)(=O)=O)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C ZINC000096926933 JG Annotated Anodyne C[C@H]1C[C@]2(O)C(=O)[C@@]3(C)[C@H]4[C@H](CC[C@@]3(C)[C@H](O)[C@H]2[C@H]1OC(=O)/C=C/c1ccccc1)C(C)(C)[C@@H]4O ZINC000096927197 JG Annotated Anodyne C=C1C(=O)[C@@]23C(=O)O[C@H]4CCC(C)(C)[C@H]5[C@H](O)OC[C@@]45[C@@H]2CC[C@@H]1[C@H]3OC(=O)c1ccccc1 ZINC000096928468 JG Annotated Mild C=C1C(=O)[C@@]23C(=O)O[C@H]4CCC(C)(C)[C@H]5[C@H](O)OC[C@@]45[C@@H]2CC[C@@H]1[C@H]3OC(=O)c1ccc(C)cc1 ZINC000096928469 JG Annotated Mild C=C1C(=O)[C@@]23C(=O)O[C@H]4CCC(C)(C)[C@H]5[C@H](O)OC[C@@]45[C@@H]2CC[C@@H]1[C@H]3OC(=O)c1ccc(OC)cc1 ZINC000096928470 JG Annotated Mild COc1ccc(Cc2nn3c([C@@H](CCc4ccccc4)[C@@H](C)O)nc(C)c3c(=O)[nH]2)cc1OO ZINC000096928711 JG Annotated Reactive COc1ccc(-c2nnc(N3CCN(S(=O)(=O)c4ccc(Br)c(C)c4)CC3)o2)cc1 ZINC000096928975 JG Annotated Anodyne CCCCNC(=S)N/N=C(/CC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)OCC ZINC000096929358 JG Annotated Mild COc1cc2c(c(OC)c1OC)C(=O)N(c1ccc3nc(NC(=O)C4CC4)sc3c1)C(=O)C2 ZINC000096929794 JG Annotated Anodyne NCCNCCCCCn1c(=O)c2cc([N+](=O)[O-])ccc2c2cnc3cc4c(cc3c21)OCO4 ZINC000096932826 JG Annotated Bother NCCNCCCCCCn1c(=O)c2cc([N+](=O)[O-])ccc2c2cnc3cc4c(cc3c21)OCO4 ZINC000096932827 JG Annotated Bother CO[C@@H]1C(=O)Nc2ccc(/C=C/[C@@]3(C)CC[C@H](C(C)(C)O)O3)c(O)c2[C@@]1(O)c1ccccc1 ZINC000096933100 JG Annotated Anodyne OCCCCCCNC(=S)N/N=C\c1ccc(OCc2cn(Cc3ccccc3)nn2)cc1 ZINC000096933189 JG Annotated Mild O=Cc1ccc(OCc2cn(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)nn2)cc1 ZINC000096933874 JG Annotated Anodyne COC(=O)c1ccccc1OCc1cn(-c2ccc(S(=O)(=O)NCCc3ccccc3)cc2)nn1 ZINC000096933877 JG Annotated Anodyne COc1cc(C=O)ccc1OCc1cn(-c2ccc(S(=O)(=O)NCCc3ccccc3)cc2)nn1 ZINC000096933878 JG Annotated Anodyne COc1ccc(C=O)cc1OCc1cn(-c2ccc(S(=O)(=O)NCCc3ccccc3)cc2)nn1 ZINC000096933879 JG Annotated Anodyne COc1ccc(-c2cn([C@@H]3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934560 JG Annotated Mild COc1ccc(-c2cn([C@H]3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934561 JG Annotated Mild N=C(N)NS(=O)(=O)c1ccc(/N=C(/S)Nc2ccnc3cc(C(F)(F)F)ccc23)cc1 ZINC000096934989 JG Annotated Mild CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3nc(C4CCNCC4)[nH]c3c2)c1F ZINC000096937601 JG Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3nc([C@@H]4CCCNC4)[nH]c3c2)c1F ZINC000096937602 JG Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3nc([C@H]4CCCNC4)[nH]c3c2)c1F ZINC000096937603 JG Annotated Anodyne Cc1ccc(S(=O)(=O)Cc2nc3ccc(I)cn3c2[N+](=O)[O-])cc1 ZINC000096937945 JG Annotated Bother CN1CCN(CCNCc2cn(-c3ccc(F)cc3F)nc2-c2cccc(N(C)C)c2)CC1 ZINC000096938558 JG Annotated Anodyne Cc1ccccc1CNc1nn(-c2ccc(F)cc2F)cc1CNCCN1CCN(C)CC1 ZINC000096938561 JG Annotated Anodyne CN1CCN(CCNCc2cn(-c3ccc(F)cc3F)nc2-c2ccc(N(C)C)cc2)CC1 ZINC000096938982 JG Annotated Anodyne O=[N+]([O-])c1c(CS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(I)cn12 ZINC000096939354 JG Annotated Bother O=C(NCC1CCNCC1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 ZINC000096939884 JG Annotated Bother N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)[C@](O)(C(F)(F)F)[C@H]3[C@@H]3CCCN32)cc1 ZINC000096940474 JG Annotated Anodyne COC(=O)C[C@@H]1c2cc(O)c(O)cc2Oc2cc(O)c3c(c21)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C3 ZINC000097653191 JG Annotated Clean in-vitro COC(=O)C[C@H]1c2cc(O)c(O)cc2Oc2cc(O)c3c(c21)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C3 ZINC000097653192 JG Annotated Clean in-vitro CCOc1ccc(N2C(=O)C[C@H]([C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3OC)N(c3ccco3)C2=O)cc1 ZINC000098081932 JG Annotated Anodyne CCOc1ccc(N2C(=O)C[C@@H]([C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3OC)N(c3ccco3)C2=O)cc1 ZINC000098081933 JG Annotated Anodyne N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(CCCBr)c1ccccc12 ZINC000098082237 JG Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(CCCBr)c1ccccc12 ZINC000098082238 JG Annotated Reactive O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000098082862 JG Annotated Reactive COc1cc(OC)c(/C=C2\CNC/C(=C\c3c(OC)cc(OC)cc3OC)C2=O)c(OC)c1 ZINC000098084331 JG Annotated Mild CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@@H](Cl)[C@H]1c1ccccc1Cl)CCCC2 ZINC000098084442 JG Annotated Reactive CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1Cl)CCCC2 ZINC000098084443 JG Annotated Reactive CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@H](Cl)[C@H]1c1ccccc1Cl)CCCC2 ZINC000098084444 JG Annotated Reactive CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@H](Cl)[C@@H]1c1ccccc1Cl)CCCC2 ZINC000098084445 JG Annotated Reactive CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@@H](Cl)[C@H]1c1c[nH]c3ccccc13)CCCC2 ZINC000098084709 JG Annotated Reactive CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@@H](Cl)[C@@H]1c1c[nH]c3ccccc13)CCCC2 ZINC000098084710 JG Annotated Reactive CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@H](Cl)[C@H]1c1c[nH]c3ccccc13)CCCC2 ZINC000098084711 JG Annotated Reactive CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@H](Cl)[C@@H]1c1c[nH]c3ccccc13)CCCC2 ZINC000098084712 JG Annotated Reactive C=CCn1c(=O)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(OC)ccc21 ZINC000098085001 JG Annotated Reactive O=c1c(NCC2CCOCC2)nc2ccc(-c3cnc(O)nc3)nc2n1CC1CCCCC1 ZINC000098085601 JG Annotated Anodyne Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(CCBr)c3ccccc31)C(C#N)=C(N)O2 ZINC000098085695 JG Annotated Reactive Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(CCBr)c3ccccc31)C(C#N)=C(N)O2 ZINC000098085696 JG Annotated Reactive Cc1ccc(C(=O)N2CCC3(CC2)OCc2cc(C#N)ccc23)cc1NC(=O)NC1CCNCC1 ZINC000098185750 JG Annotated Mild COc1ccc(C2(F)CCN(C(=O)c3ccc(C)c(NC(=O)N[C@@H]4CCOC4)c3)CC2)nc1 ZINC000098185855 JG Annotated Anodyne COc1ccc(C2(F)CCN(C(=O)c3ccc(C)c(NC(=O)N[C@H]4CCOC4)c3)CC2)nc1 ZINC000098185856 JG Annotated Anodyne Nc1nc2c(CCNCc3ccccc3)c3nc(NCCc4ccccc4)[nH]c3cc2c(=O)[nH]1 ZINC000098207799 JG Annotated Anodyne COc1c(C(C)(C)C)cc(-c2ccc[nH]c2=O)c2ncc(N3CC[C@H](CNS(C)(=O)=O)C3)cc12 ZINC000098208110 JG Annotated Anodyne CCO/N=C/c1ccc(OCC[C@@H](C)CCN2CCN(c3ccnc(C(N)=O)c3)C2=O)cc1 ZINC000098208575 JG Annotated Mild CN(Cc1ccc2c(c1C(=O)O)OCO2)C(=O)N[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000098209579 JG Annotated Anodyne